SCHEMBL16392152

SCHEMBL16392152

O=C(Nc1cc(Nc2ccccc2)nc(-c2ccccc2)n1)C1CCCO1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.56
ALDH1A1 P00352 7/20 0.56
NPC1 O15118 7/20 0.56
HSD17B10 Q99714 5/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 8/20 0.54
KDM4E B2RXH2 7/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ELOVL1 Q9BW60 1/20 0.54
RAB9A P51151 5/20 0.53
ADORA2A P29274 5/20 0.53
ADORA1 P30542 5/20 0.53
ADORA3 P0DMS8 4/20 0.53
HTT P42858 1/20 0.52
POLB P06746 2/20 0.51
TP53 P04637 5/20 0.50
MAPK1 P28482 2/20 0.50
USP2 O75604 2/20 0.48

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
SCHEMBL16391997 0.83 ADORA2A (0.73) MAPTMEN1KMT2AADORA2AADORA1
SCHEMBL15102378 0.83 ADORA3 (0.59) HPGDALDH1A1NPC1HSD17B10MAPT
SCHEMBL1518883 0.80 MAPK10 (0.72)
SCHEMBL16391940 0.80 PIP5K1C (0.68) ADORA2AADORA1ADORA3
SCHEMBL16371562 0.76 ABCG2 (0.65) NPC1MEN1KMT2ARAB9AADORA2A
SCHEMBL16392028 0.75 BUB1 (0.53) SMN1; SMN2KDM4EMEN1KMT2AADORA2A
SCHEMBL3155859 0.74 HPGD (0.46) HPGDALDH1A1NPC1HSD17B10MAPT
SCHEMBL10537082 0.72 HPGD (0.70) HPGDALDH1A1NPC1HSD17B10MAPT
SCHEMBL16392237 0.72 ADORA1 (0.56) NPC1MEN1KMT2ARAB9AADORA2A
SCHEMBL16391886 0.72 PTGIR (0.51) ALDH1A1NPC1SMN1; SMN2MEN1KMT2A

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
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
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 HPGD 185/4885ALDH1A1 251/4885NPC1 3958/4885
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer IDH2, IDH3B, IDH3A HPGD 185/4885ALDH1A1 251/4885NPC1 3958/4885

“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.