SCHEMBL16388474

SCHEMBL16388474

Nc1nc(Nc2ccncc2)nc(-c2ccccc2Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
USP2 O75604 2/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
CYP2C9 P11712 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
CDK9 P50750 1/20 0.53
HSP90AA1 P07900 2/20 0.49
AGPAT2 O15120 3/20 0.47
HRH4 Q9H3N8 1/20 0.47
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43

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
SCHEMBL16388461 0.83 CDK9 (0.47) KMT2AMEN1CYP1A2CYP3A4USP2
SCHEMBL15095054 0.80 KCNH3 (0.56) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL29560701 0.80 KCNH3 (0.56) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL16388458 0.80 NPSR1 (0.55) KMT2AMEN1USP2ALDH1A1CDK9
SCHEMBL29904021 0.80 NPSR1 (0.55) KMT2AMEN1USP2ALDH1A1CDK9
SCHEMBL8413057 0.77 CDK9 (0.77) KMT2AMEN1USP2ALDH1A1LMNA
SCHEMBL16388466 0.77 SMN1; SMN2 (0.52) KMT2AMEN1USP2ALDH1A1CDK9
SCHEMBL6207291 0.77 CA12 (0.55) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL29808150 0.77 HSP90AA1 (0.69) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL2490905 0.77 HSP90AA1 (0.69) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1

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 KMT2A 95/4885MEN1 1717/4885CYP1A2 160/4885
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 KMT2A 95/4885MEN1 1717/4885CYP1A2 160/4885

“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.