SCHEMBL1917536

SCHEMBL1917536

FC(F)(F)c1cnc(Nc2cccc(Cl)c2)nc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.59
SYK P43405 2/20 0.59
PRKCQ Q04759 1/20 0.57
MAOB P27338 2/20 0.52
GRM5 P41594 2/20 0.52
CNR2 P34972 8/20 0.51
CTSC P53634 1/20 0.49
CYP1A2 P05177 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 1/20 0.48
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
JAK3 P52333 1/20 0.48
MAOA P21397 1/20 0.48
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
PRKCA P17252 1/20 0.48
PRKCD Q05655 1/20 0.48

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
SCHEMBL1917205 0.86 KDR (0.56) CDK1SYKPRKCQCNR2CTSC
SCHEMBL1916571 0.85 GSK3A (0.56) CDK1SYKCTSCJAK2JAK3
SCHEMBL1916005 0.85 PRKCQ (0.54) CDK1SYKPRKCQCNR2CYP2C9
SCHEMBL2508768 0.83 SYK (0.54) CDK1SYKPRKCQCTSCJAK2
SCHEMBL1938235 0.83 SYK (0.50) CDK1SYKPRKCQCTSC
SCHEMBL27850474 0.83 ULK1 (0.60) CDK1SYKCNR2CTSC
SCHEMBL1935907 0.83 SYK (0.47) CDK1SYKPRKCQCNR2CTSC
SCHEMBL1917337 0.82 STK17A (0.60) CDK1SYKMAOBGRM5CNR2
SCHEMBL1917193 0.82 SYK (0.48) CDK1SYKCTSC
SCHEMBL1917507 0.82 ULK1 (0.50) CDK1SYKCNR2CTSCCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420630-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-04-16 US disclosed
EP-2090571-B1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-16 EP disclosed
EP-2332924-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-06-15 EP disclosed
US-20100152167-A1 PYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-7709480-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-04 US disclosed
EP-1438053-B1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA (DE) 2008-09-10 EP disclosed
US-7173028-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-02-06 US disclosed
EP-1663991-B1 SELECTIVE SYNTHESIS OF CF3-SUBSTITUTED PYRIMIDINES PFIZER PROD INC (US) 2007-01-10 EP disclosed
US-7122670-B2 Selective synthesis of CF3-substituted pyrimidines PFIZER INC (US) 2006-10-17 US disclosed
EP-1663991-A1 SELECTIVE SYNTHESIS OF CF3-SUBSTITUTED PYRIMIDINES Pfizer Products Inc. (US) 2006-06-07 EP disclosed
US-20060100211-A1 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US disclosed
US-20050101620-A1 Selective synthesis of CF3-substituted pyrimidines PFIZER INC. 2005-05-12 US disclosed
WO-2005023780-A1 SELECTIVE SYNTHESIS OF CF3-SUBSTITUTED PYRIMIDINES PFIZER PRODUCTS INC. (US) 2005-03-17 WO 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

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-20060100211-A1 Pyrimidine derivatives TYMP, TYMS, DPYD CDK1 39/4885SYK 2248/4885PRKCQ 3224/4885
US-20050101620-A1 Selective synthesis of CF3-substituted pyrimidines HNRNPH3, HNRNPA3, NUDT1 CDK1 541/4885SYK 4177/4885PRKCQ 4847/4885
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 CDK1 17/4885SYK 918/4885PRKCQ 3897/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD CDK1 39/4885SYK 2248/4885PRKCQ 3224/4885

“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.