SCHEMBL4860033

SCHEMBL4860033

CSc1ccc(-n2c(-c3cccnc3)nc(SC)c(C#N)c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.44
MAPT P10636 10/20 0.44
KDM4E B2RXH2 2/20 0.41
PTGS2 P35354 1/20 0.41
MAPK1 P28482 3/20 0.39
TSHR P16473 2/20 0.39
DYRK1A Q13627 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL4857002 0.91 SQOR (0.45) G6PDMAPTKDM4EPTGS2MAPK1
SCHEMBL4863240 0.89 MAPT (0.50) G6PDMAPTKDM4EPTGS2MAPK1
SCHEMBL2947465 0.89 G6PD (0.59) G6PDMAPTKDM4EPTGS2MAPK1
SCHEMBL2953222 0.88 MAPT (0.50) G6PDMAPTKDM4EPTGS2MAPK1
SCHEMBL14223433 0.88 MAPK1 (0.42) G6PDMAPTKDM4EPTGS2MAPK1
SCHEMBL4854567 0.88 KDM4E (0.48) MAPTKDM4ETSHRHPGDHSD17B10
SCHEMBL4853398 0.88 KDM4E (0.43) MAPTKDM4EMAPK1HPGDHSD17B10
SCHEMBL4855936 0.83 ALDH1A1 (0.48) MAPTKDM4EHPGDHSD17B10KMT2A
SCHEMBL2951048 0.83 ALDH1A1 (0.48) MAPTKDM4EHPGDHSD17B10KMT2A
SCHEMBL4857021 0.81 KDM4E (0.48) MAPTKDM4EHPGDHSD17B10KMT2A

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 G6PD 36/4885MAPT 28/4885KDM4E 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.