Sugi Predict

Sugi Predict / Compounds / SCHEMBL3971245

SCHEMBL3971245

SCHEMBL3971245

CSc1ncc(C(=O)O)c(NC(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.47
▸ ITGA4 P13612 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ SYK P43405 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ AHR P35869 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ KDM6B O15054 1/20 0.39
▸ KDM4A O75164 1/20 0.39
▸ KDM4D Q6B0I6 1/20 0.39
▸ HIF1AN Q9NWT6 1/20 0.39
▸ KDM2A Q9Y2K7 1/20 0.39
▸ HCAR3 P49019 1/20 0.39
▸ NPC1 O15118 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL3974395 0.98 ITGB1 (0.47) ITGB1ITGA4MEN1KMT2AKDM4E
SCHEMBL14862147 0.88 ITGB1 (0.46) ITGB1ITGA4MEN1KMT2AKDM4E
SCHEMBL14862148 0.88 ITGB1 (0.46) ITGB1ITGA4MEN1KMT2AKDM4E
SCHEMBL1320485 0.88 RAB9A (0.47) ITGB1ITGA4MEN1KMT2AALDH1A1
SCHEMBL13734182 0.87 MAPK8 (0.52) ITGB1ITGA4MEN1KMT2AALDH1A1
SCHEMBL3970809 0.87 AHR (0.41) ITGB1ITGA4MEN1KMT2AALDH1A1
SCHEMBL5891777 0.84 ITGB1 (0.46) ITGB1ITGA4MEN1KMT2AKDM4E
SCHEMBL5891771 0.84 ITGB1 (0.46) ITGB1ITGA4MEN1KMT2AKDM4E
SCHEMBL16370470 0.83 MEN1 (0.49) ITGB1ITGA4MEN1KMT2AKDM4E
SCHEMBL1521611 0.81 ALDH1A1 (0.65) MEN1KMT2AKDM4EALDH1A1SYK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612148-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2025-09-10 — — EP disclosed
US-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2024-10-29 — — US disclosed
WO-2024094963-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-05-10 — — WO disclosed
CN-111471021-B Substituted diamino carboxamides and diamino carbonitrile pyrimidines, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2024-04-02 — — CN disclosed
EP-4328223-A2 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2024-02-28 — — EP disclosed
EP-2699553-B1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-11-08 — — EP disclosed
US-20230116093-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-04-13 — — US disclosed
US-11325890-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2022-05-10 — — US disclosed
US-20210114992-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2021-04-22 — — US disclosed
US-10919865-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2021-02-16 — — US disclosed
US-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation DOBRUSIN ELLEN MYRA (US) 2004-03-04 — — US disclosed
EP-1080092-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2001-03-07 — — EP disclosed
WO-1999061444-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-02 — — WO disclosed
EP-0018139-B1 PYRIDO (2,3-D) PYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR PREPARING THE PYRIDO (2,3-D) PYRIMIDINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1983-05-04 — — EP disclosed
US-4301281-A 7,8-Dihydro-2,5,8-trisubstituted-7-oxo-pyrido[2,3-d]-pyrimidine-6-carboxylic acid amides AMERICAN HOME PRODUCTS CORPORATION (US) 1981-11-17 — — US disclosed
US-4255568-A ANTIALLERGENS AND ANTISECRETORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1981-03-10 — — US disclosed
US-4236004-A 2-Alkylsulphonyl-7,8-dihydro-5-hydroxy-7-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-11-25 — — US disclosed
US-4233446-A 5-Chloro-7,8-dihydro-7-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-11-11 — — US disclosed
EP-0018139-A2 Pyrido (2,3-d) pyrimidine derivatives, pharmaceutical compositions containing them and processes for preparing the pyrido (2,3-d) pyrimidine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-10-29 — — EP disclosed
US-4215216-A 7,8-Dihydro-2,5,8-trisubstituted-7-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-07-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 ITGB1 3531/4885ITGA4 3528/4885MEN1 4633/4885
US-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation CCNI, CCNH, CCNA1 ITGB1 2674/4885ITGA4 3399/4885MEN1 4287/4885
US-20230116093-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 ITGB1 3531/4885ITGA4 3528/4885MEN1 4633/4885
US-20210114992-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 ITGB1 3531/4885ITGA4 3528/4885MEN1 4633/4885
US-11325890-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 ITGB1 3531/4885ITGA4 3528/4885MEN1 4633/4885
US-10919865-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 ITGB1 3531/4885ITGA4 3528/4885MEN1 4633/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.