SCHEMBL16392252

SCHEMBL16392252

CC(C)Nc1cc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(O)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 6/20 0.51
▸ IDH2 P48735 6/20 0.51
▸ SYK P43405 2/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ ABCG2 Q9UNQ0 3/20 0.44
▸ ABCB1 P08183 2/20 0.43
▸ ABCC1 P33527 2/20 0.43
▸ ABCB11 O95342 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL21980586 0.93 IDH1 (0.48) IDH1IDH2SYKCYP1A2ABCG2
SCHEMBL16391606 0.88 ABCG2 (0.56) IDH1IDH2SYKCYP1A2ABCG2
SCHEMBL16391817 0.88 IDH1 (0.49) IDH1IDH2CYP1A2ABCG2ABCB1
SCHEMBL16392149 0.87 IDH2 (0.48) IDH1IDH2SYKCYP1A2ABCG2
SCHEMBL16391911 0.87 IDH1 (0.46) IDH1IDH2SYKCYP1A2ABCG2
SCHEMBL16391732 0.86 IDH1 (0.48) IDH1IDH2CYP1A2ABCG2ABCB1
SCHEMBL16392122 0.86 SYK (0.54) IDH1IDH2SYKCYP1A2
SCHEMBL21977064 0.86 SYK (0.53) IDH1IDH2SYKCYP1A2ABCG2
SCHEMBL15102620 0.86 IDH1 (0.70) IDH1IDH2SYKABCB11ADORA3
SCHEMBL29763269 0.86 IDH1 (0.70) IDH1IDH2SYKABCB11ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019480-B1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS INC (US) 2020-05-06 — — EP disclosed
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer AGIOS PHARMACEUTICALS, INC. (US) 2019-08-13 — — US disclosed
US-20160158230-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER SERVIER PHARMACEUTICALS LLC 2016-06-09 — — US disclosed
US-20160158230-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER SERVIER PHARMACEUTICALS LLC 2016-06-09 — — US disclosed
WO-2015006591-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER 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 (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-20160158230-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER IDH2, IDH3B, IDH3A IDH1 4/4885IDH2 1/4885SYK 4358/4885
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer IDH2, IDH3B, IDH3A IDH1 4/4885IDH2 1/4885SYK 4358/4885

“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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