SCHEMBL4895454

SCHEMBL4895454

NC(=O)c1cccc(Nc2nccc(-c3cccnc3)n2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 18/20 0.80
▸ BCR P11274 16/20 0.80
▸ PRKCA P17252 8/20 0.80
▸ SRC P12931 9/20 0.76
▸ PRKCD Q05655 5/20 0.72
▸ PDGFRB P09619 5/20 0.72
▸ PDGFRA P16234 5/20 0.72
▸ PRKD3 O94806 1/20 0.71
▸ PRKCG P05129 1/20 0.71
▸ PRKCB P05771 1/20 0.71
▸ PRKCH P24723 1/20 0.71
▸ PRKCI P41743 1/20 0.71
▸ PRKCE Q02156 1/20 0.71
▸ PRKCQ Q04759 1/20 0.71
▸ PRKCZ Q05513 1/20 0.71
▸ PRKD1 Q15139 1/20 0.71
▸ EGFR P00533 4/20 0.70
▸ PRKACA P17612 1/20 0.70
▸ PRKACG P22612 1/20 0.70
▸ PRKACB P22694 1/20 0.70

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
Hydrochloric Acid SCHEMBL27711429 0.99 ABL1 (0.79) ABL1BCRPRKCASRCPRKCD
Hydrochloric Acid SCHEMBL27708725 0.98 ABL1 (0.77) ABL1BCRPRKCASRCPRKCD
SCHEMBL3747896 0.90 CAMKK2 (0.80) ABL1BCRPRKCASRCPRKCD
SCHEMBL4903516 0.89 MAPK8 (0.68) ABL1BCRPRKCASRCPRKCD
SCHEMBL1655099 0.89 ABL1 (1.00) ABL1BCRPRKCASRCPRKCD
SCHEMBL7465138 0.88 ABL1 (0.80) ABL1BCRPRKCASRCPRKCD
SCHEMBL14088818 0.88 ABL1 (0.80) ABL1BCRPRKCASRCPRKCD
SCHEMBL3758823 0.87 MAPK8 (0.76) ABL1BCRPRKCASRCPRKCD
SCHEMBL4712432 0.87 ABL1 (0.61) ABL1BCRPRKCASRCPRKCD
SCHEMBL4903328 0.86 MAPK8 (0.81) ABL1BCRPRKCASRCPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101228151-B Salts of 4-methyl-N- [3- (4-methyl-imidazol-1-yl) -5-trifluoromethyl-phenyl ] -3- (4-pyridin-3-yl-pyrimidin-2-ylamino) -benzamide NOVARTIS AG 2013-01-09 — — CN claimed
CN-102267981-A Salts of 4-methyl-n-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide — 2011-12-07 — — CN claimed
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 — — US claimed
CN-101228151-A Salts of 4-methyl-N- [ 3- (4-methyl-imidazol-1-yl) -5-trifluoromethyl-phenyl ] -3- (4-pyridin-3-yl-pyrimidin-2-ylamino) -benzamide NOVARTIS AG (CH) 2008-07-23 — — CN claimed
CN-101228150-A Crystalline forms of 4-methyl-N- [ 3- (4-methyl-imidazol-1-yl) -5-trifluoromethyl-phenyl ] -3- (4-pyridin-3-yl-pyrimidin-2-ylamino) -benzamide NOVARTIS AG (CH) 2008-07-23 — — CN claimed
EP-1721609-A2 Pyridylpyrimidine derivatives as effective compounds against prion infections and prion diseases GPC Biotech AG (DE) 2006-11-15 — — EP claimed
US-20060217404-A1 Pyridylpyrimidine derivatives as effective compounds against prion infections and prion diseases GPC BIOTECH FORSCHUNGSGESELLSCHAFT MBH (DE) 2006-09-28 — — US claimed
EP-1395261-B1 PYRIDYLPYRIMIDINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST PRION DISEASES GPC BIOTECH AG (DE) 2006-06-28 — — EP claimed
EP-1395261-A2 PYRIDYLPYRIMIDINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST PRION DISEASES Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-03-10 — — EP claimed
US-20030176443-A1 Pyridylpyrimidine derivatives as effective compounds against prion diseases GPC BIOTECH FORSCHUNGSGESELLSCHAFT MBH (DE) 2003-09-18 — — US claimed
WO-2002093164-A2 PYRIDYLPYRIMIDINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST PRION DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-21 — — WO claimed
CN-114853734-A Preparation method of nilotinib free base 海南鑫开源医药科技有限公司 2022-08-05 — — CN disclosed
US-20150290235-A1 USE OF SMALL MOLECULE INHIBITORS/ACTIVATORS IN COMBINATION WITH (DEOXY)NUCLEOSIDE OR (DEOXY)NUCLEOTIDE ANALOGS FOR TREATMENT OF CANCER AND HEMATOLOGICAL MALIGNANCIES OR VIRAL INFECTIONS AB SCIENCE (FR) 2015-10-15 — — US disclosed
EP-2922572-A1 USE OF SMALL MOLECULE INHIBITORS/ACTIVATORS IN COMBINATION WITH (DEOXY)NUCLEOSIDE OR (DEOXY)NUCLEOTIDE ANALOGS FOR TREATMENT OF CANCER AND HEMATOLOGICAL MALIGNANCIES OR VIRAL INFECTIONS AB Science (FR) 2015-09-30 — — EP disclosed
WO-2014079709-A1 USE OF SMALL MOLECULE INHIBITORS/ACTIVATORS IN COMBINATION WITH (DEOXY)NUCLEOSIDE OR (DEOXY)NUCLEOTIDE ANALOGS FOR TREATMENT OF CANCER AND HEMATOLOGICAL MALIGNANCIES OR VIRAL INFECTIONS AB SCIENCE (FR) 2014-05-30 — — WO disclosed
EP-1395261-B1 PYRIDYLPYRIMIDINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST PRION DISEASES GPC BIOTECH AG (DE) 2006-06-28 — — EP disclosed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 — — WO disclosed
EP-1395261-A2 PYRIDYLPYRIMIDINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST PRION DISEASES Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-03-10 — — EP disclosed
US-20030176443-A1 Pyridylpyrimidine derivatives as effective compounds against prion diseases GPC BIOTECH FORSCHUNGSGESELLSCHAFT MBH (DE) 2003-09-18 — — US disclosed
WO-2002093164-A2 PYRIDYLPYRIMIDINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST PRION DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-21 — — 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 (4 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-20030176443-A1 Pyridylpyrimidine derivatives as effective compounds against prion diseases PRNP, PPM1D, PPM1F ABL1 901/4885BCR 1338/4885PRKCA 138/4885
US-20060217404-A1 Pyridylpyrimidine derivatives as effective compounds against prion infections and prion diseases PRNP, PPM1D, PPM1F ABL1 904/4885BCR 1230/4885PRKCA 121/4885
US-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP ABL1 2843/4885BCR 2315/4885PRKCA 2607/4885
US-20150290235-A1 USE OF SMALL MOLECULE INHIBITORS/ACTIVATORS IN COMBINATION WITH (DEOXY)NUCLEOSIDE OR (DEOXY)NUCLEOTIDE ANALOGS FOR TREATMENT OF CANCER AND HEMATOLOGICAL MALIGNANCIES OR VIRAL INFECTIONS DCK, ADK, DTYMK ABL1 136/4885BCR 1534/4885PRKCA 246/4885

“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.

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