SCHEMBL579089

SCHEMBL579089

O=C(O)c1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.70
GSK3A P49840 3/20 0.70
AURKA O14965 6/20 0.55
PTK2 Q05397 8/20 0.52
JAK2 O60674 1/20 0.52
AURKB Q96GD4 1/20 0.52
JAK3 P52333 2/20 0.51

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
SCHEMBL578690 0.90 GSK3A (0.56) GSK3BGSK3AAURKAPTK2JAK2
SCHEMBL1916423 0.88 JAK3 (0.65) GSK3BGSK3AAURKAPTK2JAK2
SCHEMBL4393743 0.87 GSK3A (0.53) GSK3BGSK3AAURKAPTK2JAK2
SCHEMBL11987614 0.86 PTK2 (0.54) GSK3BGSK3AAURKAPTK2JAK2
SCHEMBL1627996 0.86 PTK2 (0.70) PTK2JAK2JAK3
SCHEMBL1917337 0.83 STK17A (0.60) GSK3BGSK3AAURKAPTK2
SCHEMBL1916571 0.83 GSK3A (0.56) GSK3BGSK3AAURKAPTK2JAK2
SCHEMBL23087032 0.83 PTK2 (0.60) PTK2JAK2JAK3
SCHEMBL21565260 0.83 PTK2 (0.57) GSK3BGSK3APTK2JAK2JAK3
SCHEMBL28419527 0.83 PTK2 (0.60) PTK2JAK2JAK3

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-20240059678-A1 Synthesis Method for Aminopyrimidine FAK Inhibitor Compound HINOVA PHARMACEUTICALS INC. (CN) 2024-02-22 US disclosed
EP-4279488-A1 SYNTHESIS METHOD FOR AMINOPYRIMIDINE FAK INHIBITOR COMPOUND Hinova Pharmaceuticals Inc. (CN) 2023-11-22 EP disclosed
EP-2367800-B9 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER IPHARMA H K LTD (HK) 2021-10-20 EP disclosed
EP-2367799-B1 2-AMINO-5-TRIFLUOROMETHYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS PTK2 KINASE INHIBITORS IPHARMA H K LTD (HK) 2018-08-01 EP disclosed
EP-2367800-B1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER BOEHRINGER INGELHEIM INT (DE) 2018-02-28 EP disclosed
US-9676762-B2 Pyrimidine compounds containing seven-membered fused ring systems BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-13 US disclosed
US-20160362404-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-15 US disclosed
US-20150376141-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2015-12-31 US disclosed
EP-2483249-B1 PYRIMIDINE DERIVATIVES AS PROTEIN TYROSINE KINASE 2 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-12-23 EP disclosed
EP-1781640-B1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 EP disclosed
CN-101044137-A 2,4-di(aminophenyl)pyrimidine derivatives as plk inhibitors BOEHRINGER INGELHEIM INT (DE) 2007-09-26 CN disclosed
EP-1781640-A1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-05-09 EP disclosed
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 US disclosed
US-7173028-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-02-06 US disclosed
US-20060148800-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 US disclosed
US-20060100211-A1 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US disclosed
WO-2006021544-A1 2,4-DI(AMINOPHENYL) PYRIMIDINES AS PLK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 WO disclosed
EP-1438053-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-21 EP disclosed
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-11 US disclosed
WO-2003032997-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-24 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 (7 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-20240059678-A1 Synthesis Method for Aminopyrimidine FAK Inhibitor Compound PTK2, PARP16, CDK6 GSK3B 909/4885GSK3A 976/4885AURKA 609/4885
US-20160362404-A1 NEW COMPOUNDS CCNA1, MKI67, CCNT1 GSK3B 480/4885GSK3A 802/4885AURKA 3551/4885
US-20060100211-A1 Pyrimidine derivatives TYMP, TYMS, DPYD GSK3B 1036/4885GSK3A 1259/4885AURKA 1005/4885
US-20150376141-A1 NEW COMPOUNDS CCNA1, MKI67, CCNT1 GSK3B 685/4885GSK3A 1061/4885AURKA 2987/4885
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors AURKA, AURKC, AURKB GSK3B 242/4885GSK3A 346/4885AURKA 1/4885
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases COL1A1, MKI67, INSR GSK3B 852/4885GSK3A 1044/4885AURKA 1385/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP GSK3B 176/4885GSK3A 248/4885AURKA 90/4885

“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.