SCHEMBL3957474

SCHEMBL3957474

CCc1[nH]cnc(=O)c1F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.34
CYP1A2 P05177 1/20 0.34
TMIGD3 P0DMS9 1/20 0.34
CYP2C9 P11712 1/20 0.34
ADORA1 P30542 1/20 0.34
ACVR1 Q04771 1/20 0.33
ADORA2A P29274 6/20 0.32
ADORA2B P29275 3/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GABRR1 P24046 1/20 0.32
PDE4A P27815 5/20 0.31
PDE4B Q07343 5/20 0.31
PDE4C Q08493 5/20 0.31
PDE4D Q08499 5/20 0.31
KDM5B Q9UGL1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PARP1 P09874 3/20 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
SCHEMBL1456727 0.68
SCHEMBL8407756 0.68 CYP1A2 (0.41) CYP1A2TMIGD3CYP2C9ADORA1ADORA2A
SCHEMBL256090 0.67
SCHEMBL7857005 0.67
SCHEMBL8577387 0.67
SCHEMBL26754441 0.67 GABRR1 (0.41) CYP1A2TMIGD3CYP2C9ADORA1ADORA2A
SCHEMBL1886662 0.66
SCHEMBL7348065 0.64 PAK1 (0.36)
SCHEMBL15782808 0.64 HSD17B10 (0.47) HCAR2CYP2C19HSD17B10GABRR1PDE4A
SCHEMBL7354669 0.63

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 5 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
WO-2009024214-A1 PROCESS FOR THE PRODUCTION OF VORICONAZOLE AXELLIA PHARMACEUTICALS APS (DK) 2009-02-26 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 HCAR2 215/4885CYP1A2 711/4885TMIGD3 3942/4885
US-20120283273-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR CHRNA7, CHRNA5, CHRNA1 HCAR2 209/4885CYP1A2 758/4885TMIGD3 3954/4885

“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.