Sugi Predict

Sugi Predict / Compounds / SCHEMBL29434985

SCHEMBL29434985

SCHEMBL29434985

CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)n[nH]1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 11/20 0.73
▸ AURKA O14965 7/20 0.73
▸ JAK3 P52333 6/20 0.73
▸ JAK2 O60674 6/20 0.73
▸ IGF1R P08069 3/20 0.73
▸ NTRK3 Q16288 2/20 0.73
▸ NTRK2 Q16620 2/20 0.73
▸ RET P07949 2/20 0.73
▸ FGFR1 P11362 2/20 0.73
▸ FLT3 P36888 2/20 0.73
▸ PTK2 Q05397 2/20 0.73
▸ TNK2 Q07912 2/20 0.73
▸ LCK P06239 1/20 0.73
▸ FYN P06241 1/20 0.73
▸ FLT1 P17948 1/20 0.73
▸ LTK P29376 1/20 0.73
▸ KDR P35968 1/20 0.73
▸ CSNK1A1 P48729 1/20 0.73
▸ CLK2 P49760 1/20 0.73
▸ CDK7 P50613 1/20 0.73

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
SCHEMBL31060183 1.00 NTRK1 (0.73) NTRK1AURKAJAK3JAK2IGF1R
SCHEMBL588730 1.00 NTRK1 (0.73) NTRK1AURKAJAK3JAK2IGF1R
SCHEMBL18281508 1.00 NTRK1 (0.73) NTRK1AURKAJAK3JAK2IGF1R
Phosphoric Acid SCHEMBL3041888 0.95 NTRK1 (0.66) NTRK1AURKAJAK3JAK2IGF1R
Maleic Acid SCHEMBL4904780 0.93 NTRK1 (0.63) NTRK1AURKAJAK3JAK2IGF1R
SCHEMBL3034183 0.92 NTRK1 (0.71) NTRK1AURKAJAK3JAK2IGF1R
SCHEMBL3041951 0.91 NTRK1 (0.69) NTRK1AURKAJAK3JAK2IGF1R
SCHEMBL17433341 0.91 NTRK1 (0.59) NTRK1AURKAJAK3JAK2IGF1R
SCHEMBL588783 0.89 JAK3 (0.57) NTRK1AURKAJAK3JAK2IGF1R
SCHEMBL3036561 0.89 JAK2 (0.58) NTRK1AURKAJAK3JAK2IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12351571-B2 Substituted quinoxaline compounds as inhibitors of FGFR tyrosine kinases ARRAY BIOPHARMA INC. (US) 2025-07-08 — — US disclosed
US-20250186400-A1 SPRAY-DRIED DISPERSIONS, FORMULATIONS, AND POLYMORPHS OF (S)-5-AMINO-3-(4-((5-FLUORO-2-METHOXYBENZAMIDO)METHYL)PHENYL)-1-(1,1,1-TRIFLUOROPROPAN-2-YL)-1H-PYRAZOLE-4-CARBOXAMIDE LOXO ONCOLOGY, INC. 2025-06-12 — — US disclosed
EP-4558505-A2 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2025-05-28 — — EP disclosed
CN-119923398-A Cyclic compounds and methods of use thereof 薛定谔公司 2025-05-02 — — CN disclosed
US-12268666-B2 Spray-dried dispersions, formulations, and polymorphs of (S)-5-amino-3-(4-((5-fluoro-2-methoxybenzamido)methyl)phenyl)-1-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide LOXO ONCOLOGY, INC. (US) 2025-04-08 — — US disclosed
WO-2025059027-A1 CYCLOPENTA[E]PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS MALT1 INHIBITORS SCHRÖDINGER, INC. (US) 2025-03-20 — — WO disclosed
CN-114163437-B Substituted pyrazolo [1,5-a ] pyridine compounds as RET kinase inhibitors 阿雷生物药品公司 2025-03-04 — — CN disclosed
CN-114945571-B Cyclic compounds and methods of use thereof 薛定谔公司 2025-02-25 — — CN disclosed
US-20240385198-A1 STING MODULATOR COMPOSITIONS AND METHODS OF USE AND DETECTION THEREOF UNIVERSITY OF SOUTH FLORIDA 2024-11-21 — — US disclosed
CN-114945378-B Feeder-based and feeder-free stem cell culture systems for stratified epithelial stem cells and related uses thereof 休斯敦大学体系 2024-11-19 — — CN disclosed
EP-4021449-A1 STING MODULATORS, COMPOSITIONS, AND METHODS OF USE University of South Florida (US) 2022-07-06 — — EP disclosed
US-20220202788-A1 FORMULATIONS OF 6-(2-HYDROXY-2-METHYLPROPOXY)-4-(6-(6-((6-METHOXYPYRIDIN-3-YL)METHYL)-3,6-DIAZABICYCLO[3.1.1]HEPTAN-3-YL)PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIDINE-3-CARBONITRILE LOXO ONCOLOGY, INC. 2022-06-30 — — US disclosed
EP-3849986-B1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2022-06-08 — — EP disclosed
CN-110267960-B Substituted pyrazolo [1,5-a ] pyrazine compounds as RET kinase inhibitors 阿雷生物药品公司 2022-04-26 — — CN disclosed
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 — — US disclosed
US-20220112214-A1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-14 — — US disclosed
US-20220088021-A1 METHODS OF DIAGNOSING AND TREATING CANCER LOXO ONCOLOGY INC (US) 2022-03-24 — — US disclosed
US-20220087988-A1 FORMULATIONS OF 6-(2-HYDROXY-2-METHYLPROPOXY)-4-(6-(6-((6-METHOXYPYRIDIN-3-YL)METHYL)-3,6-DIAZABICYCLO[3.1.1]HEPTAN-3-YL)PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIDINE-3-CARBONITRILE LOXO ONCOLOGY, INC. 2022-03-24 — — US disclosed
WO-2022055963-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHRÖDINGER, INC. (US) 2022-03-17 — — WO disclosed
US-20220081438-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS INHIBITORS OF FGFR TYROSINE KINASES ARRAY BIOPHARMA INC. 2022-03-17 — — 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 (9 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-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 NTRK1 496/4885AURKA 1119/4885JAK3 28/4885
US-20220202788-A1 FORMULATIONS OF 6-(2-HYDROXY-2-METHYLPROPOXY)-4-(6-(6-((6-METHOXYPYRIDIN-3-YL)METHYL)-3,6-DIAZABICYCLO[3.1.1]HEPTAN-3-YL)PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIDINE-3-CARBONITRILE RET, ALK, BRAF NTRK1 22/4885AURKA 414/4885JAK3 38/4885
US-20220087988-A1 FORMULATIONS OF 6-(2-HYDROXY-2-METHYLPROPOXY)-4-(6-(6-((6-METHOXYPYRIDIN-3-YL)METHYL)-3,6-DIAZABICYCLO[3.1.1]HEPTAN-3-YL)PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIDINE-3-CARBONITRILE RET, ALK, BRAF NTRK1 22/4885AURKA 414/4885JAK3 38/4885
US-20220088021-A1 METHODS OF DIAGNOSING AND TREATING CANCER NTRK3, NTRK1, NTRK2 NTRK1 2/4885AURKA 225/4885JAK3 1094/4885
US-20220112214-A1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, FRK NTRK1 260/4885AURKA 521/4885JAK3 63/4885
US-20250186400-A1 SPRAY-DRIED DISPERSIONS, FORMULATIONS, AND POLYMORPHS OF (S)-5-AMINO-3-(4-((5-FLUORO-2-METHOXYBENZAMIDO)METHYL)PHENYL)-1-(1,1,1-TRIFLUOROPROPAN-2-YL)-1H-PYRAZOLE-4-CARBOXAMIDE API5, IL5, SRMS NTRK1 2757/4885AURKA 581/4885JAK3 152/4885
US-12268666-B2 Spray-dried dispersions, formulations, and polymorphs of (S)-5-amino-3-(4-((5-fluoro-2-methoxybenzamido)methyl)phenyl)-1-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide API5, IL5, SRMS NTRK1 2757/4885AURKA 581/4885JAK3 152/4885
US-20220081438-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS INHIBITORS OF FGFR TYROSINE KINASES FGFR1, FGFR4, FGFR3 NTRK1 310/4885AURKA 145/4885JAK3 25/4885
US-12351571-B2 Substituted quinoxaline compounds as inhibitors of FGFR tyrosine kinases FGFR3, FGFR4, FGFR1 NTRK1 485/4885AURKA 146/4885JAK3 29/4885

“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.