SCHEMBL16391997

SCHEMBL16391997

O=C(Nc1cc(Nc2ccccc2)nc(-c2ccccc2)n1)C1CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.73
ADORA1 P30542 8/20 0.73
ADORA3 P0DMS8 7/20 0.73
ACVRL1 P37023 1/20 0.58
GAA P10253 2/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
GFER P55789 1/20 0.56
KMT2A Q03164 1/20 0.56
ABL1 P00519 1/20 0.55
ABCG2 Q9UNQ0 2/20 0.54
MAPK8 P45983 4/20 0.53
MAPK10 P53779 4/20 0.53
MAPK14 Q16539 2/20 0.53
ABCB1 P08183 1/20 0.52
JAK2 O60674 1/20 0.50
PIP5K1B O14986 1/20 0.50
PIP5K1C O60331 1/20 0.50
PIK3CA P42336 1/20 0.50
PIP5K1A Q99755 1/20 0.50

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
SCHEMBL16391940 0.88 PIP5K1C (0.68) ADORA2AADORA1ADORA3MAPK8MAPK10
SCHEMBL24859034 0.85 ADORA1 (1.00) ADORA2AADORA1ADORA3
SCHEMBL16371562 0.84 ABCG2 (0.65) ADORA2AADORA1ADORA3MEN1KMT2A
SCHEMBL16392152 0.83 HPGD (0.56) ADORA2AADORA1ADORA3MEN1MAPT
SCHEMBL16392028 0.82 BUB1 (0.53) ADORA2AADORA1ADORA3MEN1KMT2A
SCHEMBL15094906 0.81 ADORA1 (0.60) ADORA2AADORA1ADORA3ACVRL1GAA
SCHEMBL16391738 0.81 ADORA3 (0.73) ADORA2AADORA1ADORA3GAAMEN1
SCHEMBL21977256 0.81 ADORA2A (0.49) ADORA2AADORA1ADORA3ACVRL1GAA
SCHEMBL16392237 0.80 ADORA1 (0.56) ADORA2AADORA1ADORA3MEN1KMT2A
SCHEMBL16391886 0.79 PTGIR (0.51) ADORA2AADORA1ADORA3MEN1KMT2A

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 ADORA2A 3531/4885ADORA1 4007/4885ADORA3 3934/4885
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer IDH2, IDH3B, IDH3A ADORA2A 3531/4885ADORA1 4007/4885ADORA3 3934/4885

“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.