SCHEMBL12097697

SCHEMBL12097697

Cc1cc2ncc(C=O)n2cc1-c1cccnc1.Cc1cc2ncc(C=O)n2cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
CYP2E1 P05181 4/20 0.37
CYP2C9 P11712 4/20 0.37
CYP2B6 P20813 4/20 0.37
CYP2C19 P33261 4/20 0.37
CHEK1 O14757 1/20 0.37
CYP3A4 P08684 3/20 0.36
KDR P35968 1/20 0.36
FYN P06241 2/20 0.35
CYP2D6 P10635 1/20 0.35
ERN1 O75460 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
SLC2A1 P11166 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 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
SCHEMBL12097947 0.93 CYP2A6 (0.43) CYP2A6GABRG2GABRB3GABRA3CYP2E1
SCHEMBL1870362 0.82 PIK3CB (0.32)
SCHEMBL12097774 0.72 PIK3CA (0.45) GABRG2GABRB3GABRA3CYP11B1CYP11B2
SCHEMBL1866743 0.72 PIK3CA (0.44) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL1869651 0.72 ALDH1A1 (0.40) CYP2A6GABRG2GABRB3GABRA3FYN
SCHEMBL12097916 0.71 PIK3CA (0.42) CYP2A6GABRG2GABRB3GABRA3CYP2E1
SCHEMBL12097911 0.71 FYN (0.37) CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19
SCHEMBL1872292 0.71 CYP2A6 (0.43) CYP2A6GABRG2GABRB3GABRA3CYP2E1
SCHEMBL12097820 0.70 ALDH1A1 (0.42) GABRG2GABRB3GABRA3CYP2C19CYP3A4
SCHEMBL15743311 0.70 CYP2A6 (0.46) CYP2A6GABRG2GABRB3GABRA3CYP2E1

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-20120232072-A1 IMIDAZOPYRIDINE DERIVATIVES PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-09-13 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-20120232072-A1 IMIDAZOPYRIDINE DERIVATIVES IL6, IL6ST, STAT3 CYP2A6 1008/4885GABRG2 2990/4885GABRB3 1674/4885

“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.