SCHEMBL4861613

SCHEMBL4861613

CSc1ccc(-n2c(-c3ccc(F)cc3)nc(SC)c(C#N)c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
MAPK14 Q16539 3/20 0.41
GCGR P47871 2/20 0.41
RXFP1 Q9HBX9 4/20 0.40
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 3/20 0.39
HPGD P15428 3/20 0.39
NPSR1 Q6W5P4 5/20 0.38
LMNA P02545 1/20 0.36
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 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
SCHEMBL4857021 1.00 KDM4E (0.48) KDM4EMAPK13MAPK12MAPK11MAPK14
SCHEMBL2951048 0.91 ALDH1A1 (0.48) KDM4ERXFP1KMT2AALDH1A1GAA
SCHEMBL4855936 0.91 ALDH1A1 (0.48) KDM4ERXFP1KMT2AALDH1A1GAA
SCHEMBL4854733 0.90 KDM4E (0.49) KDM4EMAPK13MAPK12MAPK11MAPK14
SCHEMBL4864177 0.90 KDM4E (0.49) KDM4ERXFP1KMT2AALDH1A1GAA
SCHEMBL4861654 0.89 PTGS2 (0.42) KDM4ERXFP1KMT2AALDH1A1GAA
SCHEMBL4855957 0.89 KDM4E (0.47) KDM4ERXFP1KMT2AALDH1A1GAA
SCHEMBL4858580 0.89 RXFP1 (0.50) KDM4ERXFP1KMT2AALDH1A1GAA
SCHEMBL4854626 0.89 KDM4E (0.47) KDM4ERXFP1KMT2AALDH1A1GAA
SCHEMBL4853398 0.88 KDM4E (0.43) KDM4EMAPK13MAPK12MAPK11MAPK14

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 8 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-20030225075-A1 Novel pyrimidone derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-12-04 US claimed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
EP-1492774-A2 PYRIMIDONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOLOGICAL DISEASES Orchid Chemicals and Pharmaceuticals Ltd (IN) 2005-01-05 EP disclosed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 US disclosed
US-20030225075-A1 Novel pyrimidone derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-12-04 US disclosed
WO-2003084938-A2 PYRIMIDONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATIN AND IMMUNOLOGICAL DISEASES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-10-16 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 (2 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-20030225075-A1 Novel pyrimidone derivatives TPMT, TYMP, TYMS KDM4E 4265/4885MAPK13 2867/4885MAPK12 2925/4885
US-20040259891-A1 Novel pyrimidon derivatives TYMS, TPMT, TYMP KDM4E 4161/4885MAPK13 3325/4885MAPK12 3537/4885

“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.