SCHEMBL16392201

SCHEMBL16392201

CC(C)Nc1cc(Nc2ccncc2)nc(-c2cccc(Cl)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.53
ABCB1 P08183 2/20 0.53
ABCC1 P33527 2/20 0.53
TGFBR1 P36897 2/20 0.53
PDE4B Q07343 4/20 0.47
IDH1 O75874 1/20 0.44
PDE4D Q08499 2/20 0.43
MAP4K4 O95819 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TRPA1 O75762 1/20 0.40
FLT3 P36888 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
SCHEMBL16392215 0.90 ABCG2 (0.61) ABCG2ABCB1ABCC1TGFBR1PDE4B
SCHEMBL16391901 0.86 ABCG2 (0.69) ABCG2ABCB1ABCC1TGFBR1MEN1
SCHEMBL16391858 0.85 ABCG2 (0.53) ABCG2ABCB1ABCC1TGFBR1IDH1
SCHEMBL16392197 0.85 ABCG2 (0.53) ABCG2ABCB1ABCC1TGFBR1MAP4K4
SCHEMBL16392001 0.85 ABCG2 (0.53) ABCG2ABCB1ABCC1TGFBR1MEN1
SCHEMBL29561701 0.83 IDH1 (0.56) TGFBR1PDE4BIDH1PDE4D
SCHEMBL15095057 0.83 IDH1 (0.56) TGFBR1PDE4BIDH1PDE4D
SCHEMBL16392008 0.82 ABCG2 (0.70) ABCG2ABCB1ABCC1MEN1KMT2A
SCHEMBL8347939 0.81 TGFBR1 (0.56) ABCG2ABCB1ABCC1TGFBR1PDE4B
SCHEMBL8345581 0.81 TGFBR1 (0.51) ABCG2ABCB1ABCC1TGFBR1PDE4B

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 ABCG2 889/4885ABCB1 828/4885ABCC1 367/4885
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer IDH2, IDH3B, IDH3A ABCG2 889/4885ABCB1 828/4885ABCC1 367/4885

“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.