SCHEMBL1916909

SCHEMBL1916909

CC(=O)NCCNc1nc(Nc2ccc(S(=O)(=O)N(C)C)cc2)ncc1Br

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.53
SYK P43405 1/20 0.48
CDK1 P06493 14/20 0.48
CDK2 P24941 13/20 0.48
KDR P35968 12/20 0.48
CDK4 P11802 2/20 0.48
CDK7 P50613 2/20 0.48
CDK9 P50750 2/20 0.48
CCNT1 O60563 1/20 0.48
CCND1 P24385 1/20 0.48
CCNH P51946 1/20 0.48
PTK2 Q05397 2/20 0.48
CCNB1 P14635 2/20 0.48
CCNE1 P24864 2/20 0.48
STK17B O94768 1/20 0.47
STK17A Q9UEE5 1/20 0.47
TBK1 Q9UHD2 1/20 0.45

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
SCHEMBL1916649 0.89 STK17A (0.52) SYKPTK2STK17BSTK17A
SCHEMBL3865633 0.89 CA2 (0.67) CA2SYKCDK1CDK2KDR
SCHEMBL1916823 0.89 TBK1 (0.48) SYKCDK1CDK2KDRPTK2
SCHEMBL1917625 0.88 SYK (0.48) CA2SYKCDK1CDK2KDR
SCHEMBL1916775 0.88 STK17A (0.51) SYKPTK2STK17BSTK17A
Hydrochloric Acid SCHEMBL3284762 0.87 SYK (0.48) CA2SYKCDK1CDK2KDR
SCHEMBL1917593 0.85 SYK (0.49) CA2SYKPTK2STK17BSTK17A
SCHEMBL1916812 0.85 CHEK1 (0.58) PTK2STK17A
SCHEMBL3872042 0.83 CA2 (0.64) CA2CDK1CDK2KDRCDK4
SCHEMBL3867378 0.83 CA2 (0.64) CA2SYKCDK1CDK2KDR

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 CA2 4565/4885SYK 2248/4885CDK1 39/4885
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 CA2 3956/4885SYK 918/4885CDK1 17/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD CA2 4565/4885SYK 2248/4885CDK1 39/4885

“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.