SCHEMBL4903497

SCHEMBL4903497

Cn1cnc(-c2nc(CO)c[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2B6 P20813 1/20 0.36
TSHR P16473 1/20 0.34
MTOR P42345 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
LRRK2 Q5S007 1/20 0.34
MAPT P10636 1/20 0.33
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
CASP6 P55212 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
SCHEMBL4911546 0.84 CYP2C9 (0.41) KDM2BPHF8CYP2C9CYP2C19CYP2E1
SCHEMBL4906538 0.72 CYP2E1 (0.36) KDM2BPHF8CYP2C9CYP2C19CYP2E1
SCHEMBL4900344 0.71 HPGD (0.47) TSHR
SCHEMBL743854 0.69
Hydrochloric Acid SCHEMBL1186779 0.68
SCHEMBL19691749 0.68 CBFB (0.49) MTORMAPTTDP1
SCHEMBL21873401 0.67 CYP2E1 (0.47) CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6
SCHEMBL28856174 0.67 CCR1 (0.47) CYP2A6
Benzene SCHEMBL28044738 0.66 CYP2C9 (0.53) CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6
SCHEMBL7494587 0.66 BRD4 (0.45) KDM2BPHF8CYP2C9CYP2C19CYP2E1

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 KDM2B 2011/4885PHF8 3235/4885CYP2C9 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.