SCHEMBL1661164

SCHEMBL1661164

CC(C)(F)c1ccnc(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ADRB1 P08588 1/20 0.32
RPS6KA5 O75582 1/20 0.31
CYP19A1 P11511 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL31543495 1.00 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA3GAA
SCHEMBL30632766 0.89 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA3GAA
SCHEMBL26686630 0.89 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA3GAA
SCHEMBL31038939 0.84 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3GAA
SCHEMBL17959 0.84 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3GAA
SCHEMBL2018538 0.84 SYK (0.38) GABRA1GABRG2GABRB3GABRA3RPS6KA5
SCHEMBL2020306 0.81 CYP19A1 (0.37) GABRA1GABRG2GABRB3GABRA3CYP19A1
SCHEMBL2014949 0.81 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA3ADRB1
SCHEMBL20015961 0.81 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA3RPS6KA5
SCHEMBL20909663 0.78 GRM4 (0.35) ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR PROXIMAGEN LIMITED (GB) 2015-01-01 US disclosed
US-8796283-B2 Indole and azaindole modulators of the alpha 7 nachr PROXIMAGEN LIMITED (GB) 2014-08-05 US disclosed
EP-2488514-B1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LTD (GB) 2013-12-25 EP disclosed
US-20120283273-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LIMITED (UK) 2012-11-08 US disclosed
EP-2488514-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR Proximagen Limited (GB) 2012-08-22 EP disclosed
WO-2011045353-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LIMITED (GB) 2011-04-21 WO 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 (2 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-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR CHRNA7, CHRNA5, CHRNA1 GABRA1 124/4885GABRG2 441/4885GABRB3 133/4885
US-20120283273-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR CHRNA7, CHRNA5, CHRNA1 GABRA1 127/4885GABRG2 487/4885GABRB3 141/4885

“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.