SCHEMBL16391874

SCHEMBL16391874

CC(C)Nc1cc(Nc2cccc(S(=O)(=O)NC3CC3)c2)nc(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 6/20 0.50
▸ ABCC1 P33527 4/20 0.50
▸ ABCB1 P08183 3/20 0.50
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ SYK P43405 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ BRD4 O60885 2/20 0.43
▸ BRD2 P25440 1/20 0.43
▸ BRD3 Q15059 1/20 0.43
▸ TNNI3K Q59H18 2/20 0.43
▸ CSNK2A1 P68400 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41

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
SCHEMBL15094952 0.86 KCNH3 (0.47) ALDH1A1KDM4EHPGDHTTNPSR1
SCHEMBL16391872 0.84 PTGS2 (0.58) ABCG2ABCC1ABCB1NPSR1PTGS2
SCHEMBL16391877 0.84 ABCG2 (0.52) ABCG2ABCC1ABCB1KDM4EHPGD
SCHEMBL16391739 0.84 ABCG2 (0.52) ABCG2ABCC1ABCB1NPSR1PTGS2
SCHEMBL16391710 0.83 ABCG2 (0.56) ABCG2ABCC1ABCB1NPSR1PTGS2
SCHEMBL16391720 0.82 ABCG2 (0.55) ABCG2ABCC1ABCB1NPSR1PTGS2
SCHEMBL16392095 0.81 ABCG2 (0.54) ABCG2ABCC1ABCB1ALDH1A1NPSR1
SCHEMBL16392096 0.81 ABCB1 (0.51) ABCG2ABCC1ABCB1ALDH1A1KDM4E
SCHEMBL16392015 0.78 ABCG2 (0.57) ABCG2ABCC1ABCB1KDM4EHPGD
SCHEMBL16391856 0.78 ABCG2 (0.76) ABCG2ABCC1ABCB1NPSR1PTGS2

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