SCHEMBL4864987

SCHEMBL4864987

CSc1nc(-c2ccncc2)n(-c2ccc(C(C)C)cc2)c(=O)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 6/20 0.51
RXFP1 Q9HBX9 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 2/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
DHFR P00374 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
SCHEMBL4853028 0.90 KDM4E (0.50) KDM4EALDH1A1RXFP1TDP1LMNA
SCHEMBL4854652 0.89 LMNA (0.47) KDM4EALDH1A1RXFP1TDP1LMNA
SCHEMBL4853398 0.87 KDM4E (0.43) KDM4EALDH1A1RXFP1LMNAKMT2A
SCHEMBL4854822 0.86 KDM4E (0.47) KDM4EALDH1A1
SCHEMBL4854733 0.86 KDM4E (0.49) KDM4EALDH1A1RXFP1LMNAKMT2A
SCHEMBL14223430 0.83 KDM4E (0.50) KDM4EALDH1A1RXFP1TDP1LMNA
SCHEMBL4856185 0.82 ALDH1A1 (0.45) KDM4EALDH1A1LMNAKMT2AGAA
SCHEMBL4854600 0.79 ALDH1A1 (0.55) KDM4EALDH1A1RXFP1TDP1LMNA
SCHEMBL4855957 0.79 KDM4E (0.47) KDM4EALDH1A1RXFP1TDP1LMNA
SCHEMBL4854626 0.79 KDM4E (0.47) KDM4EALDH1A1RXFP1TDP1LMNA

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.