SCHEMBL4420274

SCHEMBL4420274

CS(=O)(=O)c1nc(Cl)c(C#N)c(NCCO)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.43
MAPK9 P45984 4/20 0.43
CCNA2 P20248 3/20 0.43
CDK2 P24941 3/20 0.43
CCNA1 P78396 3/20 0.43
EGFR P00533 1/20 0.43
KDM4E B2RXH2 6/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA13 Q8N1Q1 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
AURKA O14965 1/20 0.40
ADORA1 P30542 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK10 P53779 1/20 0.38

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
SCHEMBL4416776 0.78 KDM4E (0.46) CCNA2CDK2CCNA1EGFRKDM4E
SCHEMBL4420256 0.77 CCNA2 (0.52) CCNA2CDK2CCNA1EGFRKDM4E
SCHEMBL4425711 0.75 CA1 (0.57) CCNA2CDK2CCNA1EGFRKDM4E
SCHEMBL4416386 0.70 CCNA2 (0.47) CCNA2CDK2CCNA1EGFRKDM4E
SCHEMBL4422651 0.69 KDM4E (0.42) MAPK8MAPK9KDM4EALDH1A1MEN1
SCHEMBL4413397 0.69 KDM4E (0.41) CCNA2CDK2CCNA1EGFRKDM4E
SCHEMBL27502305 0.69 KDM4E (0.42) CCNA2CDK2CCNA1EGFRKDM4E
SCHEMBL4413356 0.68 CCNA2 (0.42) CCNA2CDK2CCNA1EGFRKDM4E
SCHEMBL9626901 0.68 SMN1; SMN2 (0.40) MAPK8MAPK9KDM4EALDH1A1HPGD
SCHEMBL3550009 0.67 ACHE (0.59) KDM4EALDH1A1HPGDHTTADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397351-B1 PYRIMIDINE, TRIAZINE AND PYRAZINE DERIVATIVES AS GLUTAMATE RECEPTORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
CN-1245391-C Pyrimidine, Triazine and pyrazine derivatives as glutamate receptors HOFFMANN LA ROCHE (CH) 2006-03-15 CN disclosed
CN-1512988-A Pyrimidine, Triazine and pyrazine derivatives as glutamate receptors - 2004-07-14 CN disclosed
EP-1397351-A1 PYRIMIDINE, TRIAZINE AND PYRAZINE DERIVATIVES AS GLUTAMATE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2004-03-17 EP disclosed
US-6673795-B2 SUCH AS 6-(4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL)-2-METHYL-5-NITRO-3-(2,2,2-TRIFLUORO -ETHYL)-3H-PYRIMIDIN-4-ONE, WHICH ARE METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS USEFUL IN TREATING PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. 2004-01-06 US disclosed
US-20030060466-A1 Pyrimidine, pyrazine and triazine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-03-27 US disclosed
WO-2002098864-A1 PYRIMIDINE, TRIAZINE AND PYRAZINE DERIVATIVES AS GLUTAMATE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2002-12-12 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 (1 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-20030060466-A1 Pyrimidine, pyrazine and triazine derivatives P2RX5, IL5, P2RX2 MAPK8 3782/4885MAPK9 3863/4885CCNA2 939/4885

“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.