SCHEMBL20938752

SCHEMBL20938752

C[C@H](CC1CC1)Nc1nc(NCC(C)(C)O)nc(-c2cccc(C(F)(F)F)n2)n1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 11/20 0.77
▸ IDH1 O75874 15/20 0.66
▸ ABCB11 O95342 1/20 0.58
▸ ADORA3 P0DMS8 1/20 0.58
▸ CHRM1 P11229 1/20 0.58
▸ TBXA2R P21731 1/20 0.58
▸ PTGS1 P23219 1/20 0.58
▸ ADORA1 P30542 1/20 0.58
▸ ADRA1A P35348 1/20 0.58
▸ OPRM1 P35372 1/20 0.58
▸ KDR P35968 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58

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
SCHEMBL20938735 0.88 IDH2 (0.76) IDH2IDH1
SCHEMBL16392792 0.87 IDH2 (1.00) IDH2IDH1
SCHEMBL17960866 0.87 IDH2 (1.00) IDH2IDH1
SCHEMBL29975749 0.87 IDH2 (1.00) IDH2IDH1
SCHEMBL18760522 0.85 IDH1 (0.59) IDH2IDH1
SCHEMBL18760527 0.85 IDH1 (0.77) IDH2IDH1
SCHEMBL20402832 0.85 IDH1 (0.58) IDH2IDH1
SCHEMBL20938683 0.82 IDH1 (0.79) IDH2IDH1
SCHEMBL18760568 0.82 IDH1 (0.78) IDH2IDH1
SCHEMBL18557150 0.81 IDH2 (0.76) IDH2IDH1ABCB11ADORA3CHRM1

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 2 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

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-20190117661-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT IDH2 110/4885IDH1 172/4885ABCB11 3051/4885
US-10946023-B2 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT IDH2 110/4885IDH1 172/4885ABCB11 3051/4885

“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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