SCHEMBL16391872

SCHEMBL16391872

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.58
▸ ABCG2 Q9UNQ0 11/20 0.57
▸ ABCC1 P33527 6/20 0.57
▸ ABCB1 P08183 5/20 0.57
▸ TNNI3K Q59H18 3/20 0.48
▸ ROCK1 Q13464 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL16392015 0.93 ABCG2 (0.57) PTGS2ABCG2ABCC1ABCB1TNNI3K
SCHEMBL16391710 0.90 ABCG2 (0.56) PTGS2ABCG2ABCC1ABCB1TNNI3K
SCHEMBL16391720 0.89 ABCG2 (0.55) PTGS2ABCG2ABCC1ABCB1TNNI3K
SCHEMBL16391893 0.88 PTGS2 (0.67) PTGS2ABCG2ABCC1ABCB1MEN1
SCHEMBL16392095 0.88 ABCG2 (0.54) PTGS2ABCG2ABCC1ABCB1MEN1
SCHEMBL16391877 0.86 ABCG2 (0.52) PTGS2ABCG2ABCC1ABCB1TNNI3K
SCHEMBL16391739 0.86 ABCG2 (0.52) PTGS2ABCG2ABCC1ABCB1TNNI3K
SCHEMBL16392096 0.85 ABCB1 (0.51) PTGS2ABCG2ABCC1ABCB1MEN1
SCHEMBL16392262 0.84 TNNI3K (0.46) PTGS2ABCG2ABCC1ABCB1TNNI3K
SCHEMBL16391874 0.84 ABCG2 (0.50) PTGS2ABCG2ABCC1ABCB1TNNI3K

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 PTGS2 1622/4885ABCG2 889/4885ABCC1 367/4885
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer IDH2, IDH3B, IDH3A PTGS2 1622/4885ABCG2 889/4885ABCC1 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.

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