SCHEMBL12501034

SCHEMBL12501034

FC(F)(F)c1ccc(-c2ccc3c(Cl)ccnc3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.44
KIF11 P52732 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
MAPK3 P27361 1/20 0.39
TOP1 P11387 2/20 0.39
TRPV3 Q8NET8 1/20 0.38
CASP3 P42574 1/20 0.37
ALOX5 P09917 1/20 0.36
KIF20B Q96Q89 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
KMO O15229 1/20 0.36

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
SCHEMBL2968852 0.80 ADORA1 (0.50)
SCHEMBL443863 0.74 KIF11 (0.47) TRPV1KIF11S1PR1S1PR3TOP1
SCHEMBL2648851 0.74 RPS6KB1 (0.36) TRPV1
SCHEMBL22824639 0.74 TOP1 (0.51) TRPV1TOP1
SCHEMBL4358042 0.73 TRPV1 (0.62) TRPV1MAPK3
SCHEMBL5120908 0.72 TRPV1 (0.58) TRPV1MAPK3
SCHEMBL4076189 0.72 TRPV1 (0.58) TRPV1MAPK3KMO
SCHEMBL2650370 0.72 HSP90AA1 (0.50)
SCHEMBL22121720 0.71 TRPV1 (0.35) TRPV1ALOX5
SCHEMBL12501060 0.71 CDK2 (0.44) TRPV1MAPK3TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133074-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2020-12-09 EP disclosed
US-9725446-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
EP-3133074-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2017-02-22 EP disclosed
EP-2670748-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-28 EP disclosed
US-20160130269-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-05-12 US disclosed
CN-103502247-B 7-azaindole derivatives MERCK PATENT GMBH (DE) 2016-02-24 CN disclosed
US-9266887-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2016-02-23 US disclosed
US-20150152104-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-04 US disclosed
US-8981101-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2015-03-17 US disclosed
EP-2746281-A2 7-azaindole derivatives Merck Patent GmbH (DE) 2014-06-25 EP disclosed
EP-2670748-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2013-12-11 EP disclosed
US-20130310391-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2013-11-21 US disclosed
WO-2012104007-A2 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-08-09 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 (3 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-20130310391-A1 7-AZAINDOLE DERIVATIVES PDK1, PDK2, PDK3 TRPV1 3600/4885KIF11 1006/4885S1PR1 1789/4885
US-20150152104-A1 7-AZAINDOLE DERIVATIVES PDK1, PDK2, PDK3 TRPV1 3600/4885KIF11 1006/4885S1PR1 1789/4885
US-20160130269-A1 7-AZAINDOLE DERIVATIVES PDK1, PDK2, PDK3 TRPV1 3529/4885KIF11 957/4885S1PR1 1726/4885

“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.