SCHEMBL22950893

SCHEMBL22950893

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cnn(C)c2)cc1N

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.51
ACVR1 Q04771 12/20 0.50
PTK2 Q05397 1/20 0.46
FGFR3 P22607 4/20 0.40
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
ACVR1B P36896 1/20 0.39
TGFBR1 P36897 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
SCHEMBL29757784 1.00 EGFR (0.51) EGFRACVR1PTK2FGFR3BMPR1B
SCHEMBL23759769 0.96 EGFR (0.48) EGFRACVR1PTK2FGFR3
SCHEMBL22950983 0.94 EGFR (0.45) EGFRACVR1PTK2
SCHEMBL22950934 0.93 EGFR (0.45) EGFRACVR1PTK2BMPR1A
SCHEMBL24780434 0.91 EGFR (0.44) EGFRACVR1PTK2
SCHEMBL22950966 0.91 EGFR (0.43) EGFRACVR1PTK2BMPR1A
SCHEMBL23442017 0.90 MAPK8 (0.44) EGFRACVR1
SCHEMBL31285030 0.90 MAPK8 (0.44) EGFRACVR1
SCHEMBL22950995 0.89 ACVR1 (0.44) EGFRACVR1PTK2FGFR3
SCHEMBL25001571 0.89 EGFR (0.45) EGFRPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360102-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVE, A PREPARATION METHOD THEREFOR, AND A PHARMACEUTICAL APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-10-31 US disclosed
EP-4382520-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVE, A PREPARATION METHOD THEREFOR, AND A PHARMACEUTICAL APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2024-06-12 EP disclosed
US-20240051940-A1 SULFONAMIDES WITH EGFR INHIBITION ACTIVITIES AND THEIR USE THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2024-02-15 US disclosed
US-20230131025-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-04-27 US disclosed
US-20230131025-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-04-27 US disclosed
WO-2023011299-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVE, A PREPARATION METHOD THEREFOR, AND A PHARMACEUTICAL APPLICATION THEREOF 上海和誉生物医药科技有限公司 2023-02-09 WO disclosed
WO-2023011299-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVE, A PREPARATION METHOD THEREFOR, AND A PHARMACEUTICAL APPLICATION THEREOF 上海和誉生物医药科技有限公司 2023-02-09 WO disclosed
EP-4105207-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2022-12-21 EP disclosed
WO-2021160087-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF 贝达药业股份有限公司 2021-08-19 WO disclosed
WO-2021104441-A1 POLYAROMATIC COMPOUND AS EGFR KINASE INHIBITOR 江苏先声药业有限公司 2021-06-03 WO disclosed
WO-2021057882-A1 EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR 贝达药业股份有限公司 2021-04-01 WO disclosed
WO-2021018009-A1 EGFR INHIBITOR, COMPOSITION, AND PREPARATION METHOD THEREFOR 贝达药业股份有限公司 2021-02-04 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 (3 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-20230131025-A1 QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF EGFR, ABL1, ERBB2 EGFR 1/4885ACVR1 2649/4885PTK2 298/4885
US-20240051940-A1 SULFONAMIDES WITH EGFR INHIBITION ACTIVITIES AND THEIR USE THEREOF EGFR, ERBB2, ERBB4 EGFR 1/4885ACVR1 4657/4885PTK2 648/4885
US-20240360102-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVE, A PREPARATION METHOD THEREFOR, AND A PHARMACEUTICAL APPLICATION THEREOF WEE1, WEE2, EGFR EGFR 3/4885ACVR1 3542/4885PTK2 1798/4885

“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.