SCHEMBL4854733

SCHEMBL4854733

CSc1nc(-c2ccncc2)n(-c2ccc(F)cc2)c(=O)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
RXFP1 Q9HBX9 2/20 0.40
SQOR Q9Y6N5 1/20 0.40
MAPK13 O15264 4/20 0.39
MAPK12 P53778 4/20 0.39
MAPK11 Q15759 4/20 0.39
MAPK14 Q16539 4/20 0.39
GCGR P47871 2/20 0.39
GAA P10253 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
AOC3 Q16853 1/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4864177 0.91 KDM4E (0.49) KDM4ERXFP1GAAKMT2AMEN1
SCHEMBL4854652 0.91 LMNA (0.47) KDM4ERXFP1GAAKMT2AMEN1
SCHEMBL4861613 0.90 KDM4E (0.48) KDM4ERXFP1MAPK13MAPK12MAPK11
SCHEMBL4857021 0.90 KDM4E (0.48) KDM4ERXFP1MAPK13MAPK12MAPK11
SCHEMBL4853398 0.89 KDM4E (0.43) KDM4ERXFP1MAPK13MAPK12MAPK11
SCHEMBL4857002 0.88 SQOR (0.45) KDM4ESQORGAAKMT2AMEN1
SCHEMBL4864987 0.86 KDM4E (0.51) KDM4ERXFP1GAAKMT2AMEN1
SCHEMBL6141923 0.86 PTGS2 (0.51) KDM4E
SCHEMBL6141813 0.86 PTGS2 (0.51) KDM4E
SCHEMBL7239883 0.85 PTGS2 (0.47) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US claimed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 US claimed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 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 (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-20040259891-A1 Novel pyrimidon derivatives TYMS, TPMT, TYMP KDM4E 4161/4885RXFP1 2961/4885SQOR 547/4885

“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.