SCHEMBL3289660

SCHEMBL3289660

NS(=O)(=O)c1ccc(CCNc2nc(Nc3ccc(Cl)c(Cl)c3)ncc2C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 4/20 0.57
CDK1 P06493 1/20 0.54
STK17A Q9UEE5 5/20 0.51
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA9 Q16790 3/20 0.50
CA7 P43166 2/20 0.50
NTRK1 P04629 1/20 0.50
STK17B O94768 3/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CHEK1 O14757 5/20 0.47
FLT3 P36888 5/20 0.47
KIT P10721 2/20 0.47
CA12 O43570 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL1916687 0.91 PTK2 (0.66) PTK2CDK1NTRK1
SCHEMBL1916276 0.86 AURKA (0.57) PTK2STK17ANTRK1STK17BCHEK1
SCHEMBL1916664 0.85 STK17A (0.48) PTK2STK17ASTK17BCHEK1FLT3
SCHEMBL1916523 0.85 STK17A (0.53) PTK2STK17ASTK17BCHEK1FLT3
SCHEMBL11919167 0.84 PTK2 (0.57) PTK2CDK1STK17ACA1CA2
SCHEMBL1491765 0.83 PTK2 (0.59) PTK2CDK1STK17ACA1CA2
SCHEMBL1916314 0.81 STK17A (0.67) STK17ASTK17BCHEK1FLT3KIT
SCHEMBL1917627 0.80 STK17A (0.51) PTK2CDK1STK17ASTK17BCHEK1
SCHEMBL1918906 0.80 CHEK1 (0.55) PTK2STK17ASTK17BCHEK1FLT3
SCHEMBL1919067 0.80 STK17A (0.55) STK17ASTK17BCHEK1FLT3

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 9 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
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 3366/4885CDK1 39/4885STK17A 1083/4885
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 1110/4885CDK1 17/4885STK17A 2304/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD PTK2 3366/4885CDK1 39/4885STK17A 1083/4885

“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.