SCHEMBL16392134

SCHEMBL16392134

CC(C)Nc1cc(Nc2cccc(S(=O)(=O)NCC3CC3)c2)nc(-c2cccc(Cl)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ IDH1 O75874 11/20 0.41
▸ IDH2 P48735 3/20 0.39
▸ GBA1 P04062 1/20 0.38
▸ PARG Q86W56 1/20 0.38
▸ TNNI3K Q59H18 3/20 0.37
▸ EGFR P00533 2/20 0.37
▸ GPR39 O43194 2/20 0.36

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
SCHEMBL15102463 0.88 IDH1 (0.51) SMN1; SMN2ALDH1A1IDH1IDH2GBA1
SCHEMBL16392219 0.85 IDH2 (0.42) IDH1IDH2TNNI3K
SCHEMBL16391999 0.83 TNNI3K (0.45) IDH1IDH2TNNI3KEGFR
SCHEMBL16391734 0.80 MAPT (0.43) SMN1; SMN2ALDH1A1IDH1
SCHEMBL16388550 0.79 IDH1 (0.51) SMN1; SMN2ALDH1A1IDH1IDH2GBA1
SCHEMBL16391870 0.76 ABCG2 (0.52) IDH1IDH2
SCHEMBL16392088 0.76 IDH1 (0.55) IDH1IDH2
SCHEMBL16391701 0.75 IDH1 (0.43) IDH1IDH2TNNI3KEGFR
SCHEMBL16391639 0.74 PTGS2 (0.45) ALDH1A1TNNI3KEGFR
SCHEMBL20402083 0.74 IDH1 (0.54) 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 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 SMN1; SMN2 3155/4885ALDH1A1 251/4885IDH1 4/4885
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer IDH2, IDH3B, IDH3A SMN1; SMN2 3155/4885ALDH1A1 251/4885IDH1 4/4885

“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.

Send feedback