SCHEMBL4852946

SCHEMBL4852946

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.40
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK13 O15264 3/20 0.39
MAPK12 P53778 3/20 0.39
MAPK11 Q15759 3/20 0.39
MAPK14 Q16539 3/20 0.39
GCGR P47871 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ADORA1 P30542 1/20 0.37
HPGD P15428 3/20 0.37
NPSR1 Q6W5P4 3/20 0.36
RXFP1 Q9HBX9 3/20 0.36
LMNA P02545 1/20 0.34
GRM5 P41594 1/20 0.34
HSD17B10 Q99714 2/20 0.34
PIK3CD O00329 2/20 0.34
USP2 O75604 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
SCHEMBL4858922 0.91 ALDH1A1 (0.46) KDM4EALDH1A1GAASMN1; SMN2MEN1
SCHEMBL4859642 0.86 USP2 (0.38) KDM4EALDH1A1GAASMN1; SMN2MEN1
SCHEMBL4861613 0.86 KDM4E (0.48) KDM4EALDH1A1GAAMAPK13MAPK12
SCHEMBL4857021 0.86 KDM4E (0.48) KDM4EALDH1A1GAAMAPK13MAPK12
SCHEMBL14223428 0.82 KDM4E (0.45) KDM4EALDH1A1GAASMN1; SMN2MAPK13
SCHEMBL14223703 0.82 KDM4E (0.45) KDM4EALDH1A1GAASMN1; SMN2MAPK13
SCHEMBL4855936 0.77 ALDH1A1 (0.48) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL2951048 0.77 ALDH1A1 (0.48) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL4854733 0.76 KDM4E (0.49) KDM4EALDH1A1GAAMAPK13MAPK12
SCHEMBL4864177 0.76 KDM4E (0.49) KDM4EALDH1A1GAASMN1; SMN2MEN1

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 5 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-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 272/4885GAA 2264/4885

“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.