SCHEMBL16392008

SCHEMBL16392008

CC(C)Nc1cc(Nc2cccc(Cl)c2)nc(-c2ccccc2)n1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 14/20 0.70
ABCC1 P33527 7/20 0.70
ABCB1 P08183 6/20 0.70
PDE5A O76074 2/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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 0.92 ABCG2 (0.61) ABCG2ABCC1ABCB1PDE5AMEN1
SCHEMBL16391856 0.88 ABCG2 (0.76) ABCG2ABCC1ABCB1MEN1KMT2A
SCHEMBL16391964 0.87 ABCG2 (0.64) ABCG2ABCC1ABCB1MEN1KMT2A
SCHEMBL17812894 0.87 ABCG2 (0.71) ABCG2ABCC1ABCB1PDE5AMEN1
SCHEMBL16392239 0.85 ABCG2 (0.59) ABCG2ABCC1ABCB1MEN1KMT2A
SCHEMBL16392274 0.85 ABCG2 (0.70) ABCG2ABCC1ABCB1MEN1KMT2A
SCHEMBL16392201 0.82 ABCG2 (0.53) ABCG2ABCC1ABCB1MEN1KMT2A
SCHEMBL16391719 0.82 ABCG2 (0.59) ABCG2ABCC1ABCB1MEN1KMT2A
SCHEMBL21977172 0.82 MAPT (0.61) ABCG2ABCC1ABCB1MEN1KMT2A
SCHEMBL15102399 0.82 KCNH3 (0.61) ABCG2ABCC1ABCB1PDE5AKDM4E

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

“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.