SCHEMBL18557139

SCHEMBL18557139

CC(C)CNc1nc(N[C@@H](C)C(C)C)nc(-c2cccc(C(F)(F)F)n2)n1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 17/20 0.81
▸ IDH2 P48735 7/20 0.63

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
SCHEMBL16392784 0.90 IDH1 (1.00) IDH1IDH2
SCHEMBL16392776 0.90 IDH1 (1.00) IDH1IDH2
SCHEMBL16392779 0.90 IDH1 (1.00) IDH1IDH2
SCHEMBL21573444 0.90 IDH1 (1.00) IDH1IDH2
SCHEMBL16392782 0.83 IDH2 (0.77) IDH1IDH2
SCHEMBL16369807 0.82 IDH1 (0.83) IDH1IDH2
SCHEMBL16393281 0.81 IDH1 (0.82) IDH1IDH2
SCHEMBL16433014 0.81 IDH1 (0.76) IDH1IDH2
SCHEMBL30556437 0.81 IDH1 (0.76) IDH1IDH2
SCHEMBL16393257 0.80 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 6 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
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-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-9579324-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC (US) 2017-02-28 — — 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 (5 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-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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