SCHEMBL15738696

SCHEMBL15738696

CC(=O)c1ncc(C(F)(F)F)cc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.57
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 6/20 0.46
AGBL2 Q5U5Z8 1/20 0.44
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 4/20 0.41
HSD17B10 Q99714 1/20 0.41
APP P05067 1/20 0.41
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL2373055 0.84 CFTR (0.55) CFTRKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL14861898 0.84 CFTR (0.55) CFTRKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL16389665 0.82 AGBL2 (0.54) CFTRKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL29699314 0.82 CFTR (0.56) CFTRKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL2373041 0.82 CFTR (0.56) CFTRKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL30134211 0.81 MAPT (0.47) CFTRKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL9928605 0.81 MAPT (0.47) CFTRKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL14783550 0.80 CFTR (0.65) CFTRKDM4ESMN1; SMN2ALDH1A1AGBL2
SCHEMBL1865699 0.80 SMN1; SMN2 (0.53) CFTRKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL707954 0.79 MAPT (0.46) CFTRKDM4EMAPTSMN1; SMN2ALDH1A1

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-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 US disclosed
US-20170022221-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2017-01-26 US disclosed
US-9248122-B2 Heteroquinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2016-02-02 US disclosed
EP-2925759-A1 HETEROQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2015-10-07 EP disclosed
WO-2014082738-A1 HETEROQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2014-06-05 WO disclosed
US-20140148478-A1 HETEROQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2014-05-29 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 (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-20140148478-A1 HETEROQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 CFTR 318/4885KDM4E 908/4885MAPT 3408/4885
US-20170022221-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS GABRA5, GABRA1, GABBR2 CFTR 382/4885KDM4E 1198/4885MAPT 2157/4885

“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.