SCHEMBL16388779

SCHEMBL16388779

Nc1nc(Nc2cccc(S(=O)(=O)N3CCC3)c2)nc(-c2cccc(Cl)n2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ALDH1A1 P00352 8/20 0.43
▸ LMNA P02545 5/20 0.43
▸ HTT P42858 4/20 0.43
▸ MITF O75030 1/20 0.43
▸ NOD2 Q9HC29 1/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ MAPT P10636 5/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ PDGFRB P09619 2/20 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
SCHEMBL29560654 0.87 IDH1 (0.48) ALDH1A1LMNAHTTMITFNOD2
SCHEMBL15102237 0.87 IDH1 (0.48) ALDH1A1LMNAHTTMITFNOD2
SCHEMBL16388552 0.83 ROCK1 (0.49) NOD2PDGFRB
SCHEMBL16391734 0.79 MAPT (0.43) ALDH1A1LMNAHTTMITFNOD2
SCHEMBL16388550 0.78 IDH1 (0.51) ALDH1A1SMN1; SMN2CNR1
SCHEMBL16388574 0.77 IDH1 (0.44) LMNAMAPT
SCHEMBL16388455 0.76 CDK9 (0.54) USP2TSHRALDH1A1HTTMEN1
SCHEMBL12325152 0.75 ALDH1A1 (0.54) TSHRALDH1A1LMNAHTTMITF
SCHEMBL16388184 0.73 ROCK1 (0.47) NOD2MAPTKDM4ENPSR1PDGFRB
SCHEMBL16388192 0.73 IDH1 (0.50) SRC

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 USP2 824/4885TSHR 3905/4885ALDH1A1 113/4885
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 USP2 824/4885TSHR 3905/4885ALDH1A1 113/4885

“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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