SCHEMBL1916729

SCHEMBL1916729

CN(Cc1ccccn1)c1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 10/20 0.49
PTK2B Q14289 7/20 0.49
ULK1 O75385 2/20 0.42
STK17A Q9UEE5 1/20 0.40
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CDK2 P24941 1/20 0.39
GBA1 P04062 1/20 0.39
ATM Q13315 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CTSC P53634 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL1918200 0.89 PTK2 (0.42) PTK2PTK2BULK1STK17ACDK1
SCHEMBL1916367 0.85 PTK2 (0.43) PTK2PTK2BULK1CDK4CDK2
SCHEMBL3284100 0.84 PTK2 (0.47) PTK2PTK2BULK1CDK1CDK4
SCHEMBL3284549 0.82 CHEK1 (0.43) PTK2PTK2BULK1STK17ACDK1
SCHEMBL1917266 0.80 PTK2 (0.45) PTK2PTK2BULK1CDK1CDK4
SCHEMBL3285334 0.80 STK17A (0.42) PTK2PTK2BULK1STK17A
SCHEMBL3289710 0.80 CHEK1 (0.46) PTK2PTK2BULK1STK17ACDK1
SCHEMBL3150906 0.80 PTK2 (0.70) PTK2PTK2BULK1STK17ACDK1
SCHEMBL1918469 0.78 CHEK1 (0.42) PTK2PTK2BULK1STK17A
SCHEMBL1917545 0.78 JAK3 (0.49) PTK2PTK2BULK1STK17A

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 10 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-2090571-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-08-19 EP 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
US-20060100211-A1 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US 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 (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-20060100211-A1 Pyrimidine derivatives TYMP, TYMS, DPYD PTK2 3366/4885PTK2B 1613/4885ULK1 1959/4885
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 PTK2 1110/4885PTK2B 954/4885ULK1 3079/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD PTK2 3366/4885PTK2B 1613/4885ULK1 1959/4885

“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.