SCHEMBL16392096

SCHEMBL16392096

CC(C)Nc1cc(Nc2cccc(S(=O)(=O)N3CCC3)c2)nc(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.51
▸ ABCC1 P33527 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPT P10636 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ GAA P10253 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ KDM4C Q9H3R0 1/20 0.47
▸ PTGS2 P35354 1/20 0.45
▸ TSHR P16473 2/20 0.45

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
SCHEMBL29560438 0.86 PDE5A (0.50) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL15102199 0.86 PDE5A (0.50) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL16391872 0.85 PTGS2 (0.58) ABCB1ABCC1ABCG2MAPTMEN1
SCHEMBL16391734 0.84 MAPT (0.43) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL16391710 0.84 ABCG2 (0.56) ABCB1ABCC1ABCG2MAPTMEN1
SCHEMBL16391720 0.83 ABCG2 (0.55) ABCB1ABCC1ABCG2MAPTMEN1
SCHEMBL16392095 0.82 ABCG2 (0.54) ABCB1ABCC1ABCG2ALDH1A1MAPT
SCHEMBL16391874 0.81 ABCG2 (0.50) ABCB1ABCC1ABCG2ALDH1A1MEN1
SCHEMBL16391877 0.80 ABCG2 (0.52) ABCB1ABCC1ABCG2MAPTMEN1
SCHEMBL16391739 0.80 ABCG2 (0.52) ABCB1ABCC1ABCG2MAPTMEN1

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

“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