SCHEMBL4854652

SCHEMBL4854652

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 6/20 0.46
HPGD P15428 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 3/20 0.45
RXFP1 Q9HBX9 3/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KCNK3 O14649 1/20 0.39
HSD17B10 Q99714 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
MDM2 Q00987 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
SCHEMBL4853398 0.92 KDM4E (0.43) LMNAALDH1A1KDM4EHPGDKMT2A
SCHEMBL4854733 0.91 KDM4E (0.49) LMNAALDH1A1KDM4EHPGDKMT2A
SCHEMBL4854600 0.90 ALDH1A1 (0.55) LMNAALDH1A1KDM4EHPGDKMT2A
SCHEMBL2951048 0.89 ALDH1A1 (0.48) LMNAALDH1A1KDM4EHPGDKMT2A
SCHEMBL4855936 0.89 ALDH1A1 (0.48) LMNAALDH1A1KDM4EHPGDKMT2A
SCHEMBL4864987 0.89 KDM4E (0.51) LMNAALDH1A1KDM4EHPGDKMT2A
SCHEMBL4856185 0.86 ALDH1A1 (0.45) LMNAALDH1A1KDM4EHPGDKMT2A
SCHEMBL4859624 0.85 PTGS2 (0.46) LMNAALDH1A1KDM4EHPGDKMT2A
SCHEMBL6141883 0.84 PTGS2 (0.47) LMNAALDH1A1KDM4EHPGDKMT2A
SCHEMBL4861850 0.84 PTGS2 (0.47) LMNAALDH1A1KDM4EHPGDKMT2A

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 LMNA 4005/4885ALDH1A1 272/4885KDM4E 4161/4885

“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.