SCHEMBL4863176

SCHEMBL4863176

CSc1nc(-c2ccccn2)n(-c2ccc(C)c(C)c2)c(=O)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
PTPN1 P18031 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DHFR P00374 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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 0.89 KDM4E (0.46) HTTKDM4EALDH1A1GAAHPGD
SCHEMBL4861680 0.88 KDM4E (0.45) HTTKDM4EALDH1A1GAAHPGD
SCHEMBL4854704 0.87 KDM4E (0.46) HTTKDM4EALDH1A1PTPN1MAPT
SCHEMBL14223450 0.86 HTT (0.43) HTTKDM4EALDH1A1GAAHPGD
SCHEMBL4854645 0.85 MEN1 (0.49) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL4859654 0.85 ATM (0.43) HTTKDM4EALDH1A1HPGDPTPN1
SCHEMBL4862273 0.84 ALDH1A1 (0.52) KDM4EALDH1A1GAAHPGDPOLB
SCHEMBL2953222 0.80 MAPT (0.50) HTTKDM4EALDH1A1HPGDMAPT
SCHEMBL2949905 0.79 KDM4E (0.41) KDM4EALDH1A1GAAHPGDPOLB
SCHEMBL4196588 0.77 LMNA (0.39) HTTKDM4EALDH1A1GAAHPGD

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 HTT 960/4885KDM4E 4161/4885ALDH1A1 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.