SCHEMBL14250375

SCHEMBL14250375

O=C1CNC(=O)C(CC(F)(F)F)N1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.35
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 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
SCHEMBL23974015 0.81 HRH3 (0.35) HRH3
SCHEMBL13644716 0.81 HRH3 (0.35) HRH3
SCHEMBL4410585 0.75 HRH3 (0.38) HRH3ITGB3ITGA2B
SCHEMBL12334338 0.75 HRH3 (0.38) HRH3ITGB3ITGA2B
SCHEMBL4402037 0.75 HRH3 (0.38) HRH3ITGB3ITGA2B
SCHEMBL17966443 0.74 ITGB3 (0.39) HRH3ITGB3ITGA2B
SCHEMBL417814 0.74 HRH3 (0.37) HRH3ITGB3ITGA2B
SCHEMBL6948618 0.74 HRH3 (0.37) HRH3ITGB3ITGA2B
SCHEMBL31420767 0.74 HRH3 (0.37) HRH3ITGB3ITGA2B
SCHEMBL10417796 0.74 ITGB3 (0.39) HRH3ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2721019-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-08-08 EP disclosed
EP-2721019-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-08-08 EP disclosed
US-9856279-B2 Therapeutically active compositions and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-01-02 US disclosed
US-9856279-B2 Therapeutically active compositions and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-01-02 US disclosed
US-20170210749-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-07-27 US disclosed
US-20170210749-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-07-27 US disclosed
US-9662327-B2 Phenyl and pyridinyl substituted piperidines and piperazines as inhibitors of IDH1 mutants and their use in treating cancer AGIOS PHARMACEUTICALS, INC (US) 2017-05-30 US disclosed
US-9662327-B2 Phenyl and pyridinyl substituted piperidines and piperazines as inhibitors of IDH1 mutants and their use in treating cancer AGIOS PHARMACEUTICALS, INC (US) 2017-05-30 US disclosed
EP-2721033-B1 COMPOUNDS, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USES AS IDH1 MUTANTS INHIBITORS FOR TREATING CANCERS AGIOS PHARMACEUTICALS INC (US) 2016-12-07 EP disclosed
US-20160229876-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2016-08-11 US disclosed
US-20160229876-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2016-08-11 US disclosed
US-20140213580-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-07-31 US disclosed
US-20140206673-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-07-24 US disclosed
US-20140206673-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-07-24 US disclosed
EP-2721019-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2014-04-23 EP disclosed
EP-2721033-A1 COMPOUNDS, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USES AS IDH1 MUTANTS INHIBITORS FOR TREATING CANCERS Agios Pharmaceuticals, Inc. (US) 2014-04-23 EP disclosed
WO-2012171506-A1 COMPOUNDS, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USES AS IDH1 MUTANTS INHIBITORS FOR TREATING CANCERS AGIOS PHARMACEUTICALS, INC. (US) 2012-12-20 WO disclosed
WO-2012171337-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-12-20 WO disclosed
WO-2012171337-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-12-20 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 (4 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-20170210749-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE RNASE1, GZMB, ANXA2 HRH3 2034/4885ITGB3 864/4885ITGA2B 1171/4885
US-20140206673-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE RNASE1, GZMB, ANXA2 HRH3 2034/4885ITGB3 864/4885ITGA2B 1171/4885
US-20140213580-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE RNASE1, TP53, MCL1 HRH3 4052/4885ITGB3 1252/4885ITGA2B 1257/4885
US-20160229876-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, MMP8 HRH3 3631/4885ITGB3 1296/4885ITGA2B 1587/4885

“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.