SCHEMBL8345581

SCHEMBL8345581

CC(=O)Nc1cc(Nc2ccncc2)nc(-c2cccc(Cl)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.51
PDE4B Q07343 5/20 0.51
BRAF P15056 2/20 0.50
ADORA3 P0DMS8 4/20 0.49
PDE4D Q08499 3/20 0.48
ADORA2A P29274 3/20 0.48
ADORA1 P30542 3/20 0.48
ADORA2B P29275 2/20 0.47
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ABL1 P00519 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MPL P40238 1/20 0.45
DYRK3 O43781 1/20 0.44
CCNT1 O60563 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44

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
SCHEMBL16392201 0.81 ABCG2 (0.53) TGFBR1PDE4BPDE4DABCB1ABCC1
SCHEMBL8347939 0.79 TGFBR1 (0.56) TGFBR1PDE4BPDE4DABCB1ABCC1
SCHEMBL8348234 0.79 TGFBR1 (0.53) TGFBR1PDE4BPDE4DABCB1ABCC1
SCHEMBL4106826 0.76 TGFBR1 (0.55) TGFBR1PDE4BABCB1ABCC1ABCG2
SCHEMBL21980348 0.71 ABCG2 (0.85) ABCB1ABCC1ABCG2MEN1KMT2A
SCHEMBL16392215 0.71 ABCG2 (0.61) TGFBR1PDE4BPDE4DABCB1ABCC1
SCHEMBL6286096 0.70 ADORA3 (0.61) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL16388452 0.69 TGFBR1 (0.56) TGFBR1PDE4BPDE4DCDK9
SCHEMBL16391858 0.69 ABCG2 (0.53) TGFBR1ABCB1ABCC1ABCG2MEN1
SCHEMBL29561701 0.69 IDH1 (0.56) TGFBR1PDE4BPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-3019480-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER Agios Pharmaceuticals, Inc. (US) 2016-05-18 EP claimed
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 claimed
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
EP-3019480-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER Agios Pharmaceuticals, Inc. (US) 2016-05-18 EP 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
WO-2004024159-A1 INHIBITORS OF TFGβ SCIOS INC. (US) 2004-03-25 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 TGFBR1 3893/4885PDE4B 2889/4885BRAF 1192/4885
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer IDH2, IDH3B, IDH3A TGFBR1 3893/4885PDE4B 2889/4885BRAF 1192/4885

“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.