SCHEMBL4906538

SCHEMBL4906538

Cn1cnc(-c2nc(C=O)c[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM2B Q8NHM5 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
MAPT P10636 1/20 0.33
LRRK2 Q5S007 1/20 0.31
FGFR4 P22455 1/20 0.31
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30

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
SCHEMBL2928851 0.73
SCHEMBL2456169 0.73 CCR1 (0.37)
SCHEMBL4911546 0.72 CYP2C9 (0.41) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL4903497 0.72 KDM2B (0.37) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL2926647 0.71 CYP2E1 (0.38) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL18066 0.69
SCHEMBL6866822 0.68 F2RL1 (0.31)
SCHEMBL6866757 0.68 METAP1 (0.40) CYP2C19KDM5B
SCHEMBL19691765 0.68 BTK (0.47) MAPT
SCHEMBL2560356 0.67 SLC9A1 (0.34)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS CYP11B2, CYP3A43, CYP11B1 CYP2E1 164/4885CYP2A6 121/4885CYP2C9 62/4885

“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.