SCHEMBL16392219

SCHEMBL16392219

CC(C)Nc1cc(Nc2cccc(S(=O)(=O)NCC(F)(F)F)c2)nc(-c2cccc(Cl)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 9/20 0.42
▸ IDH1 O75874 13/20 0.41
▸ CYP1A2 P05177 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TNNI3K Q59H18 2/20 0.38
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL15102443 0.88 IDH1 (0.52) IDH2IDH1
SCHEMBL16392134 0.85 SMN1; SMN2 (0.41) IDH2IDH1TNNI3K
SCHEMBL16391999 0.84 TNNI3K (0.45) IDH2IDH1TNNI3K
SCHEMBL16388574 0.79 IDH1 (0.44) IDH2IDH1
SCHEMBL16391734 0.79 MAPT (0.43) IDH1
SCHEMBL18286561 0.78 IDH1 (0.64) IDH2IDH1
SCHEMBL16391947 0.77 IDH1 (0.54) IDH2IDH1CYP1A2TNNI3K
SCHEMBL16391870 0.77 ABCG2 (0.52) IDH2IDH1CYP1A2
SCHEMBL16391716 0.76 IDH1 (0.46) IDH2IDH1CYP1A2TNNI3K
SCHEMBL16391709 0.76 IDH1 (0.61) IDH2IDH1CYP1A2

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 4 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
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 IDH2 1/4885IDH1 4/4885CYP1A2 197/4885
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer IDH2, IDH3B, IDH3A IDH2 1/4885IDH1 4/4885CYP1A2 197/4885

“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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