SCHEMBL16372091

SCHEMBL16372091

O=C(O)Nc1cc(Nc2ccccc2)nc(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.48
MAPT P10636 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPK1 P28482 2/20 0.47
NFKB1 P19838 1/20 0.47
PPARG P37231 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
JAK2 O60674 1/20 0.44
TYK2 P29597 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALPG P10696 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
CDK2 P24941 1/20 0.42
EGFR P00533 1/20 0.42
ERBB3 P21860 1/20 0.42
LMNA P02545 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
SCHEMBL16371562 0.83 ABCG2 (0.65) MEN1KMT2ARAB9AABCG2
SCHEMBL16371722 0.78 OGG1 (0.49) PPARAMAPTMEN1KMT2AMAPK1
SCHEMBL14428206 0.78 KMT2A (0.55) PPARAMAPTMEN1KMT2AMAPK1
SCHEMBL16372124 0.75 ATF1 (0.49) PPARAMAPTMEN1KMT2AMAPK1
SCHEMBL28267322 0.75 PPARA (0.43) PPARAMAPTMEN1KMT2AMAPK1
SCHEMBL15881004 0.74 MEN1 (0.44) MAPTMEN1KMT2AMAPK1CYP1A2
SCHEMBL21765569 0.73 MEN1 (0.63) MAPTMEN1KMT2AMAPK1NFKB1
SCHEMBL15305722 0.73 L3MBTL1 (0.55) MAPTKMT2AJAK2KDM4ERAB9A
SCHEMBL17800972 0.72 PPARA (0.41) PPARAMAPTMEN1KMT2AMAPK1
SCHEMBL13950758 0.71 MEN1 (0.47) MAPTMEN1KMT2AMAPK1NFKB1

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 5 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
EP-3019480-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER Agios Pharmaceuticals, Inc. (US) 2016-05-18 EP 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 PPARA 4506/4885MAPT 4795/4885MEN1 1923/4885
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer IDH2, IDH3B, IDH3A PPARA 4506/4885MAPT 4795/4885MEN1 1923/4885

“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.