SCHEMBL4857002

SCHEMBL4857002

CSc1nc(-c2cccnc2)n(-c2ccc(F)cc2)c(=O)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
G6PD P11413 1/20 0.44
MAPT P10636 10/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
PTGS2 P35354 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DYRK1A Q13627 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4860033 0.91 G6PD (0.44) KDM4EALDH1A1HPGDG6PDMAPT
SCHEMBL4864177 0.88 KDM4E (0.49) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL4854733 0.88 KDM4E (0.49) SQORKDM4EALDH1A1HPGDGAA
SCHEMBL2947465 0.88 G6PD (0.59) KDM4EALDH1A1HPGDG6PDMAPT
SCHEMBL4863240 0.88 MAPT (0.50) KDM4EALDH1A1HPGDG6PDMAPT
SCHEMBL2953222 0.88 MAPT (0.50) KDM4EALDH1A1HPGDG6PDMAPT
SCHEMBL14223705 0.83 KDM4E (0.47) SQORKDM4EALDH1A1HPGDGAA
SCHEMBL4857021 0.83 KDM4E (0.48) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL4861613 0.83 KDM4E (0.48) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL6141923 0.81 PTGS2 (0.51) KDM4EPTGS2

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 SQOR 547/4885KDM4E 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.