SCHEMBL4853398

SCHEMBL4853398

CSc1ccc(-n2c(-c3ccncc3)nc(SC)c(C#N)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
RXFP1 Q9HBX9 2/20 0.41
LMNA P02545 2/20 0.38
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
MAPK13 O15264 2/20 0.37
GCGR P47871 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37
MAPK14 Q16539 2/20 0.37
KCNK3 O14649 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL4854652 0.92 LMNA (0.47) KDM4ERXFP1LMNAALDH1A1KMT2A
SCHEMBL2951048 0.91 ALDH1A1 (0.48) KDM4ERXFP1LMNAALDH1A1KMT2A
SCHEMBL4854567 0.91 KDM4E (0.48) KDM4ERXFP1LMNAALDH1A1KMT2A
SCHEMBL4855936 0.91 ALDH1A1 (0.48) KDM4ERXFP1LMNAALDH1A1KMT2A
SCHEMBL4854733 0.89 KDM4E (0.49) KDM4ERXFP1LMNAALDH1A1KMT2A
SCHEMBL4857021 0.88 KDM4E (0.48) KDM4ERXFP1LMNAALDH1A1KMT2A
SCHEMBL4861613 0.88 KDM4E (0.48) KDM4ERXFP1LMNAALDH1A1KMT2A
SCHEMBL4858580 0.88 RXFP1 (0.50) KDM4ERXFP1LMNAALDH1A1KMT2A
SCHEMBL4855957 0.88 KDM4E (0.47) KDM4ERXFP1LMNAALDH1A1KMT2A
SCHEMBL4854626 0.88 KDM4E (0.47) KDM4ERXFP1LMNAALDH1A1KMT2A

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 2961/4885LMNA 4005/4885

“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.