SCHEMBL16391893

SCHEMBL16391893

CC(C)Nc1cc(Nc2ccc(S(C)(=O)=O)cc2)nc(-c2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.67
▸ ABCG2 Q9UNQ0 7/20 0.65
▸ ABCB1 P08183 5/20 0.65
▸ ABCC1 P33527 2/20 0.65
▸ KDM1A O60341 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ GBA1 P04062 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ MAPT P10636 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 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
SCHEMBL16391872 0.88 PTGS2 (0.58) PTGS2ABCG2ABCB1ABCC1MEN1
SCHEMBL16392015 0.88 ABCG2 (0.57) PTGS2ABCG2ABCB1ABCC1KDM1A
SCHEMBL16391856 0.86 ABCG2 (0.76) PTGS2ABCG2ABCB1ABCC1MEN1
SCHEMBL3451130 0.85 ABCG2 (0.60) PTGS2ABCG2ABCB1ABCC1KDM1A
SCHEMBL16392013 0.83 PTGS2 (0.49) PTGS2ABCG2ABCB1ABCC1KDM1A
SCHEMBL3451851 0.82 PTGS2 (0.65) PTGS2ABCG2ABCB1ABCC1KDM1A
SCHEMBL16391881 0.82 ABCG2 (0.71) ABCG2ABCB1ABCC1MEN1KMT2A
SCHEMBL17812894 0.82 ABCG2 (0.71) ABCG2ABCB1ABCC1MEN1KMT2A
SCHEMBL16391865 0.82 ABCG2 (0.71) ABCG2ABCB1ABCC1MEN1KMT2A
SCHEMBL15102261 0.81 CA1 (0.60) PTGS2KDM1ANPC1

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 889/4885ABCB1 828/4885
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer IDH2, IDH3B, IDH3A PTGS2 1622/4885ABCG2 889/4885ABCB1 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.

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