SCHEMBL16391734

SCHEMBL16391734

CC(C)Nc1cc(Nc2cccc(S(=O)(=O)N3CCC3)c2)nc(-c2cccc(Cl)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.43
▸ ALDH1A1 P00352 7/20 0.41
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ LMNA P02545 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ HTT P42858 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ MITF O75030 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ IDH1 O75874 2/20 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
SCHEMBL15102237 0.87 IDH1 (0.48) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL29560654 0.87 IDH1 (0.48) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL16391999 0.86 TNNI3K (0.45) IDH1
SCHEMBL16392096 0.84 ABCB1 (0.51) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL16392134 0.80 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2IDH1
SCHEMBL16391870 0.79 ABCG2 (0.52) KMT2AIDH1
SCHEMBL16392219 0.79 IDH2 (0.42) IDH1
SCHEMBL16388779 0.79 USP2 (0.48) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL21976925 0.77 IDH1 (0.39) POLBIDH1
SCHEMBL16391639 0.77 PTGS2 (0.45) ALDH1A1MEN1KMT2ANOD2

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 MAPT 4795/4885ALDH1A1 251/4885MEN1 1923/4885
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer IDH2, IDH3B, IDH3A MAPT 4795/4885ALDH1A1 251/4885MEN1 1923/4885

“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.

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