SCHEMBL1916006

SCHEMBL1916006

N#CCCN(Cc1cccnc1)c1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 5/20 0.39
PTK2B Q14289 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
CTSC P53634 1/20 0.38
CDK4 P11802 1/20 0.38
CDK2 P24941 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CRHR1 P34998 1/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 1/20 0.36
BRAF P15056 1/20 0.36
MAPK14 Q16539 1/20 0.36
NAMPT P43490 1/20 0.35

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
SCHEMBL1917893 0.92 ALDH1A1 (0.39) PTK2PTK2BALDH1A1CTSCCDK4
SCHEMBL1917082 0.90 PTK2 (0.44) PTK2PTK2BALDH1A1MAPTGAA
SCHEMBL1916367 0.83 PTK2 (0.43) PTK2PTK2BALDH1A1MAPTGAA
SCHEMBL1918469 0.81 CHEK1 (0.42) PTK2PTK2BULK1
SCHEMBL1917099 0.81 PTK2 (0.41) PTK2PTK2BCTSCCDK4CDK2
SCHEMBL1916225 0.78 PTK2 (0.40) PTK2PTK2BCTSCCDK4CDK2
SCHEMBL1916644 0.78 CTSC (0.40) PTK2PTK2BCTSCULK1
SCHEMBL1918054 0.76 CHEK1 (0.40) PTK2CRHR1ULK1
SCHEMBL1916470 0.76 ULK1 (0.42) PTK2CDK4CDK2ULK1
SCHEMBL1916497 0.74 ULK1 (0.40) PTK2CDK4CDK2ULK1

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 12 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
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 (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 1613/4885ALDH1A1 252/4885
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 954/4885ALDH1A1 605/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD PTK2 3366/4885PTK2B 1613/4885ALDH1A1 252/4885

“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.