SCHEMBL4855786

SCHEMBL4855786

CCc1ccc(-n2c(-c3ccc(SC)cc3)nc(SC)c(C#N)c2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.40
RXFP1 Q9HBX9 3/20 0.38
ALDH1A1 P00352 6/20 0.37
HPGD P15428 4/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 4/20 0.36
PDE9A O76083 2/20 0.35
LMNA P02545 1/20 0.35
USP2 O75604 2/20 0.34
HCAR1 Q9BXC0 1/20 0.34
TSHR P16473 1/20 0.34
TDP2 O95551 1/20 0.34
POLB P06746 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4858719 0.90 UCHL3 (0.39) KDM4ERXFP1ALDH1A1HPGDKMT2A
SCHEMBL4855936 0.89 ALDH1A1 (0.48) KDM4ERXFP1ALDH1A1HPGDKMT2A
SCHEMBL2951048 0.89 ALDH1A1 (0.48) KDM4ERXFP1ALDH1A1HPGDKMT2A
SCHEMBL14223771 0.89 KDM4E (0.37) KDM4ERXFP1ALDH1A1HPGDKMT2A
SCHEMBL4858580 0.87 RXFP1 (0.50) KDM4ERXFP1ALDH1A1HPGDKMT2A
SCHEMBL4854626 0.87 KDM4E (0.47) KDM4ERXFP1ALDH1A1HPGDKMT2A
SCHEMBL4857021 0.87 KDM4E (0.48) KDM4ERXFP1ALDH1A1HPGDKMT2A
SCHEMBL4861613 0.87 KDM4E (0.48) KDM4ERXFP1ALDH1A1HPGDKMT2A
SCHEMBL4855957 0.87 KDM4E (0.47) KDM4ERXFP1ALDH1A1HPGDKMT2A
SCHEMBL4853398 0.86 KDM4E (0.43) KDM4ERXFP1ALDH1A1HPGDKMT2A

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 2961/4885ALDH1A1 272/4885

“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.