Sugi Predict

Sugi Predict / Compounds / SCHEMBL20203485

SCHEMBL20203485

SCHEMBL20203485

C[C@@H](OC(=O)c1ccccc1)c1cc2cnc(S(C)(=O)=O)nc2c(N2CCCCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ AKT3 Q9Y243 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ P2RY12 Q9H244 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ TP53 P04637 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL21403245 1.00 KMT2A (0.37) KMT2AALDH1A1KDM4EHTTNPSR1
SCHEMBL20203540 0.85 KMT2A (0.42) KMT2AALDH1A1NPSR1AKT1AKT2
SCHEMBL20203513 0.85 KMT2A (0.42) KMT2AALDH1A1NPSR1AKT1AKT2
SCHEMBL21403227 0.84 AKT1 (0.34) KMT2AALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL20203512 0.84 AKT1 (0.34) KMT2AALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL23733419 0.83 GLP1R (0.34) KMT2AALDH1A1KDM4ENPSR1L3MBTL1
SCHEMBL20203486 0.81 TP53 (0.40) ALDH1A1KDM4EHTTNPSR1L3MBTL1
SCHEMBL20037496 0.81 PKM (0.37) KMT2AALDH1A1HTTNPSR1L3MBTL1
SCHEMBL21402723 0.81 PKM (0.37) KMT2AALDH1A1HTTNPSR1L3MBTL1
SCHEMBL20255408 0.80 NPSR1 (0.36) KMT2AALDH1A1HTTNPSR1MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof TEIJIN PHARMA LIMITED (JP) 2021-08-10 — — US disclosed
US-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof TEIJIN PHARMA LIMITED (JP) 2021-08-10 — — US disclosed
EP-3546458-B1 ((PYRIDIN-2-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE AND ((PYRIDAZIN-3-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES AS CDK4/6 INHIBITORS FOR TREATING E.G. RHEUMATOID ARTHRITIS, ARTERIOSCLEROSIS, PULMONARY FIBROSIS, CEREBRAL INFARCTION OR CANCER TEIJIN PHARMA LTD (JP) 2021-01-06 — — EP disclosed
EP-3546458-A1 PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2019-10-02 — — EP disclosed
WO-2018097297-A1 PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2018-05-31 — — WO 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 (1 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-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof CDK4, CDK6, CDK16 KMT2A 657/4885ALDH1A1 964/4885KDM4E 451/4885

“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.