SCHEMBL4861680

SCHEMBL4861680

CSc1ccc(-n2c(-c3ccccn3)nc(SC)c(C#N)c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 6/20 0.39
RXFP1 Q9HBX9 3/20 0.38
PTPN1 P18031 1/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.34
GRM5 P41594 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL4858598 0.92 KDM4E (0.46) KDM4EALDH1A1RXFP1PTPN1TSHR
SCHEMBL4854704 0.90 KDM4E (0.46) KDM4EALDH1A1RXFP1PTPN1TSHR
SCHEMBL4854645 0.89 MEN1 (0.49) KDM4EALDH1A1RXFP1TSHRMAPT
SCHEMBL4859654 0.89 ATM (0.43) KDM4EALDH1A1RXFP1PTPN1TSHR
SCHEMBL4863176 0.88 HTT (0.45) KDM4EALDH1A1RXFP1PTPN1TSHR
SCHEMBL14223434 0.88 PTPN1 (0.38) KDM4EALDH1A1RXFP1PTPN1TSHR
SCHEMBL4854567 0.84 KDM4E (0.48) KDM4EALDH1A1RXFP1TSHRMAPT
SCHEMBL4853398 0.82 KDM4E (0.43) KDM4EALDH1A1RXFP1MAPTKMT2A
SCHEMBL2951048 0.80 ALDH1A1 (0.48) KDM4EALDH1A1RXFP1MAPTKMT2A
SCHEMBL4855936 0.80 ALDH1A1 (0.48) KDM4EALDH1A1RXFP1MAPTKMT2A

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 4161/4885ALDH1A1 272/4885RXFP1 2961/4885

“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.