SCHEMBL434196

SCHEMBL434196

Cn1nccc1Nc1nccc(-c2ccc(N3CCCC3)c(C#N)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 3/20 0.57
TBK1 Q9UHD2 4/20 0.56
MAPK1 P28482 11/20 0.53
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CCNA1 P78396 1/20 0.46
MAPK6 Q16659 1/20 0.45

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
SCHEMBL433868 0.86 MAP3K14 (0.54) MAP3K14TBK1MAPK1MAPK6
SCHEMBL15301682 0.86 MAP3K14 (0.54) MAP3K14TBK1MAPK1MAPK6
SCHEMBL15301513 0.84 TBK1 (0.55) MAP3K14TBK1CCNA2CDK2CCNA1
SCHEMBL459048 0.83 TBK1 (0.73) MAP3K14TBK1CCNA2CDK2CCNA1
SCHEMBL433161 0.82 MAP3K14 (0.50) MAP3K14TBK1MAPK1MAPK6
SCHEMBL433159 0.82 MAP3K14 (0.50) MAP3K14TBK1MAPK1MAPK6
SCHEMBL435042 0.82 TBK1 (0.53) MAP3K14TBK1CCNA2CDK2CCNA1
SCHEMBL434250 0.82 TBK1 (0.58) MAP3K14TBK1MAPK1CCNA2CDK2
SCHEMBL432472 0.81 TBK1 (0.65) TBK1CCNA2CDK2CCNA1
SCHEMBL435440 0.81 TBK1 (0.65) TBK1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595964-B1 Pyrimidine compounds as inhibitors of protein kinases IKK epsilon and/or TBK-1, processes for their preparation, and pharmaceutical compositions containing them DOMAINEX LTD (GB) 2015-04-29 EP claimed
US-8962609-B2 Pyrimidine compounds as inhibitors of protein kinases IKK epsilon and/or TBK-1, processes for their preparation, and pharmaceutical compositions containing them DOMAINEX LIMITED (GB) 2015-02-24 US claimed
US-20130267491-A1 PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMAINEX LIMITED (GB) 2013-10-10 US claimed
EP-2595964-A1 PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Domainex Limited (GB) 2013-05-29 EP claimed
WO-2012010826-A1 PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMAINEX LIMITED (GB) 2012-01-26 WO claimed
US-20230286924-A1 CRYSTALLINE FORMS OF 4-(7-HYDROXY-2-ISOPROPYL-4-OXO-4H-QUINAZOLIN-3-YL)-BENZONITRILE AND FORMULATIONS THEREOF CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2023-09-14 US disclosed
EP-4192466-A1 CRYSTALLINE FORMS OF 4-(7-HYDROXY-2-ISOPROPYL-4-OXO-4H-QUINAZOLIN-3-YL)-BENZONITRILE AND FORMULATIONS THEREOF Novartis AG (CH) 2023-06-14 EP disclosed
US-20230139170-A1 Formulations of 4-(7-Hydroxy-2-isopropyl-4-oxo-4H-quinazolin-3-yl)-benzonitrile JPMORGAN CHASE BANK, N.A., AS SUCCESSOR AGENT 2023-05-04 US disclosed
US-11541027-B2 Use of dianhydrogalactitol and analogs or derivatives thereof in combination with platinum-containing antineoplastic agents to treat non-small-cell carcinoma of the lung and brain metastases DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2023-01-03 US disclosed
US-20220162170-A1 CRYSTALLINE FORMS OF 4-(7-HYDROXY-2-ISOPROPYL-4-OXO-4H-QUINAZOLIN-3-YL)-BENZONITRILE AND FORMULATIONS THEREOF CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2022-05-26 US disclosed
EP-3924345-A1 CRYSTALLINE FORMS OF 4-(7-HYDROXY-2-ISOPROPYL-4-OXO-4H-QUINAZOLIN-3-YL)-BENZONITRILE AND FORMULATIONS THEREOF Novartis AG (CH) 2021-12-22 EP disclosed
EP-3923912-A1 FORMULATIONS OF 4-(7-HYDROXY-2-ISOPROPYL-4-OXO-4H-QUINAZOLIN-3-YL)-BENZONITRILE Novartis AG (CH) 2021-12-22 EP disclosed
US-20130264007-A1 PROCESS FOR PRODUCTION OF FINELY FIBROUS CELLULOSE COMPOSITE PREPREG SHEET, PROCESS FOR PRODUCTION OF FINELY FIBROUS CELLULOSE COMPOSITE SHEET, AND PROCESS FOR PRODUCTION OF FINELY FIBROUS CELLULOSE COMPOSITE LAMINATE SHEET Oji Holdings Corporation (JP) 2013-10-10 US disclosed
US-20130267491-A1 PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMAINEX LIMITED (GB) 2013-10-10 US disclosed
US-20130267491-A1 PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMAINEX LIMITED (GB) 2013-10-10 US disclosed
EP-2595964-A1 PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Domainex Limited (GB) 2013-05-29 EP disclosed
WO-2012010826-A1 PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMAINEX LIMITED (GB) 2012-01-26 WO disclosed
WO-2012010826-A1 PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMAINEX LIMITED (GB) 2012-01-26 WO disclosed
CN-100502832-C Hair care composition UNILEVER NV (NL) 2009-06-24 CN disclosed
CN-1870970-A Hair care composition UNILEVER NV (NL) 2006-11-29 CN 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 (5 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-20230139170-A1 Formulations of 4-(7-Hydroxy-2-isopropyl-4-oxo-4H-quinazolin-3-yl)-benzonitrile HRH4, AQP4, P2RY4 MAP3K14 2015/4885TBK1 470/4885MAPK1 2984/4885
US-20220162170-A1 CRYSTALLINE FORMS OF 4-(7-HYDROXY-2-ISOPROPYL-4-OXO-4H-QUINAZOLIN-3-YL)-BENZONITRILE AND FORMULATIONS THEREOF P2RY4, P2RX4, AQP4 MAP3K14 2201/4885TBK1 262/4885MAPK1 2816/4885
US-20230286924-A1 CRYSTALLINE FORMS OF 4-(7-HYDROXY-2-ISOPROPYL-4-OXO-4H-QUINAZOLIN-3-YL)-BENZONITRILE AND FORMULATIONS THEREOF P2RY4, AQP4, P2RX4 MAP3K14 2163/4885TBK1 276/4885MAPK1 2834/4885
US-11541027-B2 Use of dianhydrogalactitol and analogs or derivatives thereof in combination with platinum-containing antineoplastic agents to treat non-small-cell carcinoma of the lung and brain metastases DNMT1, MGMT, DCK MAP3K14 1195/4885TBK1 1239/4885MAPK1 1617/4885
US-20130267491-A1 PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHUK, IKBKE, TBKBP1 MAP3K14 101/4885TBK1 10/4885MAPK1 247/4885

“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.