SCHEMBL16388429

SCHEMBL16388429

CC(F)(F)c1cc(F)cc(-c2nc(N)nc(Nc3cccc(S(C)(=O)=O)c3)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 2/20 0.45
▸ CCNT1 O60563 1/20 0.45
▸ CCNE1 P24864 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ ROCK1 Q13464 1/20 0.44
▸ IDH1 O75874 7/20 0.42
▸ SYK P43405 1/20 0.42
▸ PTGS2 P35354 2/20 0.41
▸ IDH2 P48735 4/20 0.41
▸ AURKA O14965 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ MET P08581 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ FLT1 P17948 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ MAPK8 P45983 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
SCHEMBL16388712 0.90 IDH2 (0.48) CDK9CCNT1CCNE1CDK2ROCK1
SCHEMBL16388714 0.88 IDH1 (0.53) IDH1IDH2
SCHEMBL15102544 0.87 IDH1 (0.52) CDK9CCNT1CCNE1CDK2IDH1
SCHEMBL16388205 0.85 SYK (0.53) ROCK1IDH1SYKPTGS2IDH2
SCHEMBL16388437 0.83 IDH1 (0.49) IDH1SYKPTGS2IDH2
SCHEMBL16388716 0.80 IDH1 (0.55) IDH1IDH2
SCHEMBL16388446 0.79 IDH1 (0.60) IDH1IDH2
SCHEMBL16391693 0.79 IDH1 (0.41) CDK9CCNT1CCNE1CDK2ROCK1
SCHEMBL16388190 0.78 ROCK1 (0.50) CDK9CCNT1CCNE1CDK2ROCK1
SCHEMBL16388184 0.78 ROCK1 (0.47) CDK9CCNT1CCNE1CDK2ROCK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019490-B1 N,6-BIS(ARYL OR HETEROARYL)-1,3,5-TRIAZINE-2,4-DIAMINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS INC (US) 2020-06-03 — — EP disclosed
US-20170348318-A1 N,6-BIS(ARYL OR HETEROARYL)-1,3,5-TRIAZINE-2,4-DIAMINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER SERVIER PHARMACEUTICALS LLC 2017-12-07 — — US disclosed
US-20170348318-A1 N,6-BIS(ARYL OR HETEROARYL)-1,3,5-TRIAZINE-2,4-DIAMINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER SERVIER PHARMACEUTICALS LLC 2017-12-07 — — US disclosed
US-9724350-B2 N,6-bis(aryl or heteroaryl)-1,3,5-triazine-2,4-diamine compounds as IDH2 mutants inhibitors for the treatment of cancer AGIOS PHARMACEUTICALS, INC. (US) 2017-08-08 — — US disclosed
US-9724350-B2 N,6-bis(aryl or heteroaryl)-1,3,5-triazine-2,4-diamine compounds as IDH2 mutants inhibitors for the treatment of cancer AGIOS PHARMACEUTICALS, INC. (US) 2017-08-08 — — US disclosed
US-20160158241-A1 N,6-BIS(ARYL OR HETEROARYL)-1,3,5-TRIAZINE-2,4-DIAMINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER SERVIER PHARMACEUTICALS LLC 2016-06-09 — — US disclosed
US-20160158241-A1 N,6-BIS(ARYL OR HETEROARYL)-1,3,5-TRIAZINE-2,4-DIAMINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER SERVIER PHARMACEUTICALS LLC 2016-06-09 — — US disclosed
WO-2015006592-A1 N,6-BIS(ARYL OR HETEROARYL)-1,3,5-TRIAZINE-2,4-DIAMINE 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-20160158241-A1 N,6-BIS(ARYL OR HETEROARYL)-1,3,5-TRIAZINE-2,4-DIAMINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER IDH2, IDH3B, IDH3A CDK9 552/4885CCNT1 1193/4885CCNE1 445/4885
US-20170348318-A1 N,6-BIS(ARYL OR HETEROARYL)-1,3,5-TRIAZINE-2,4-DIAMINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER IDH2, IDH3B, IDH3A CDK9 552/4885CCNT1 1193/4885CCNE1 445/4885

“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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