SCHEMBL4859642

SCHEMBL4859642

CNc1nc(-c2ccc(SC)cc2)n(-c2ccc(C)c(C)c2)c(=O)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.36
ALDH1A1 P00352 10/20 0.36
KDM4E B2RXH2 9/20 0.36
HPGD P15428 5/20 0.36
GAA P10253 4/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 3/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL4858922 0.88 ALDH1A1 (0.46) USP2HSD17B10LMNAALDH1A1KDM4E
SCHEMBL14223774 0.87 L3MBTL1 (0.40) USP2HSD17B10L3MBTL1LMNAALDH1A1
SCHEMBL2949905 0.87 KDM4E (0.41) USP2HSD17B10L3MBTL1LMNAALDH1A1
SCHEMBL4852946 0.86 KDM4E (0.46) USP2HSD17B10LMNAALDH1A1KDM4E
SCHEMBL4862273 0.77 ALDH1A1 (0.52) USP2HSD17B10L3MBTL1LMNAALDH1A1
SCHEMBL2951048 0.76 ALDH1A1 (0.48) HSD17B10LMNAALDH1A1KDM4EHPGD
SCHEMBL4855936 0.76 ALDH1A1 (0.48) HSD17B10LMNAALDH1A1KDM4EHPGD
SCHEMBL4855004 0.75 PTGS2 (0.41) USP2HSD17B10L3MBTL1ALDH1A1KDM4E
SCHEMBL4861826 0.75 HSD17B10 (0.41) USP2HSD17B10L3MBTL1LMNAALDH1A1
SCHEMBL4861613 0.74 KDM4E (0.48) USP2HSD17B10LMNAALDH1A1KDM4E

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 USP2 4392/4885HSD17B10 3028/4885L3MBTL1 4805/4885

“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.