SCHEMBL16392849

SCHEMBL16392849

C[C@H](Nc1nc(N[C@H](C)c2ccccc2)nc(-c2cccc(C(F)(F)F)n2)n1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 20/20 1.00
▸ IDH2 P48735 4/20 0.64

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
SCHEMBL29975898 1.00 IDH1 (1.00) IDH1IDH2
SCHEMBL17960838 0.92 IDH1 (0.84) IDH1IDH2
SCHEMBL17960995 0.92 IDH1 (0.84) IDH1IDH2
SCHEMBL18760599 0.91 IDH1 (0.83) IDH1IDH2
SCHEMBL16392817 0.90 IDH1 (1.00) IDH1IDH2
SCHEMBL29975721 0.90 IDH1 (1.00) IDH1IDH2
SCHEMBL29975964 0.90 IDH1 (1.00) IDH1IDH2
SCHEMBL16392778 0.90 IDH1 (1.00) IDH1IDH2
SCHEMBL18760568 0.88 IDH1 (0.78) IDH1IDH2
SCHEMBL16393257 0.88 IDH1 (1.00) IDH1IDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10946023-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2021-03-16 — — US disclosed
EP-3686190-A1 SYNTHESIS OF THERAPEUTICALLY ACTIVE COMPOUNDS Agios Pharmaceuticals, Inc. (US) 2020-07-29 — — EP disclosed
EP-3019483-B1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2019-11-20 — — EP disclosed
EP-3019483-B1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2019-11-20 — — EP disclosed
US-20190117661-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2019-04-25 — — US disclosed
US-10172864-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2019-01-08 — — US disclosed
US-10172864-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2019-01-08 — — US disclosed
US-10028961-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-07-24 — — US disclosed
US-10028961-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-07-24 — — US disclosed
US-20170107194-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-04-20 — — US disclosed
US-20170107194-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-04-20 — — US disclosed
US-9579324-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC (US) 2017-02-28 — — US disclosed
US-9579324-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC (US) 2017-02-28 — — US disclosed
US-9579324-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC (US) 2017-02-28 — — US disclosed
US-20160220572-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2016-08-04 — — US disclosed
US-20160220572-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2016-08-04 — — US disclosed
WO-2015003640-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2015-01-15 — — 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 (6 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-20190117661-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT IDH1 172/4885IDH2 110/4885
US-10028961-B2 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT IDH1 172/4885IDH2 110/4885
US-10172864-B2 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT IDH1 172/4885IDH2 110/4885
US-10946023-B2 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT IDH1 172/4885IDH2 110/4885
US-20160220572-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT IDH1 172/4885IDH2 110/4885
US-20170107194-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT IDH1 172/4885IDH2 110/4885

“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.

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