SCHEMBL16388188

SCHEMBL16388188

CS(=O)(=O)c1cccc(Nc2nc(N)nc(-c3nc(C(F)(F)F)ccc3F)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 5/20 0.50
▸ ROCK1 Q13464 1/20 0.45
▸ PTGS2 P35354 4/20 0.44
▸ CCNT1 O60563 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ CDK9 P50750 2/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ JAK2 O60674 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ PTK2 Q05397 2/20 0.40
▸ IDH2 P48735 1/20 0.40
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ CCNH P51946 1/20 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
SCHEMBL16388783 0.89 ROCK1 (0.47) SYKROCK1CCNT1CDK2CDK9
SCHEMBL15102540 0.86 IDH1 (0.53) SYKPTGS2CCNT1CDK2CDK9
SCHEMBL29561157 0.86 IDH1 (0.53) SYKPTGS2CCNT1CDK2CDK9
SCHEMBL16388205 0.85 SYK (0.53) SYKROCK1PTGS2IDH2
SCHEMBL16391722 0.78 SYK (0.44) SYKROCK1PTGS2IDH2
SCHEMBL16388712 0.78 IDH2 (0.48) SYKROCK1CCNT1CDK2CDK9
SCHEMBL16388437 0.78 IDH1 (0.49) SYKPTGS2IDH2
SCHEMBL16388436 0.78 IDH1 (0.52) SYKIDH2
SCHEMBL16388429 0.77 CDK9 (0.45) SYKROCK1PTGS2CCNT1CDK2
SCHEMBL16388728 0.76 SYK (0.60) SYKROCK1PTGS2JAK2IDH2

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 SYK 3819/4885ROCK1 4053/4885PTGS2 1118/4885
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 SYK 3819/4885ROCK1 4053/4885PTGS2 1118/4885

“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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