SCHEMBL17800983

SCHEMBL17800983

CC(C)N(C(=O)O)c1cc(Cl)nc(Nc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOA P61586 1/20 0.45
SLC2A1 P11166 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
KCNH3 Q9ULD8 4/20 0.42
NFKB1 P19838 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
OGG1 O15527 1/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
TGM2 P21980 1/20 0.38
PPARA Q07869 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL17800987 0.84 ADORA1 (0.48) RHOASLC2A1TAAR1KCNH3OGG1
SCHEMBL17800972 0.80 PPARA (0.41) RHOANFKB1MEN1MAPTMAPK1
SCHEMBL3244058 0.78 TAAR1 (0.69) SLC2A1TAAR1KCNH3NFKB1MEN1
SCHEMBL3241000 0.73 MAPT (0.67) RHOAKCNH3NFKB1MEN1MAPT
SCHEMBL17800986 0.73 ABCG2 (0.53) MEN1KMT2ANPC1RAB9A
SCHEMBL13927339 0.71 KCNH3 (0.47) RHOAKCNH3NFKB1MEN1MAPT
SCHEMBL16371722 0.70 OGG1 (0.49) RHOASLC2A1TAAR1NFKB1MEN1
SCHEMBL3708228 0.70 TAAR1 (0.61) SLC2A1TAAR1NFKB1MEN1MAPT
SCHEMBL9795905 0.69 VSIR (0.54) KCNH3NFKB1MEN1MAPTMAPK1
SCHEMBL16540809 0.68 MAPK8 (0.42) KCNH3AURKA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 RHOA 4727/4885SLC2A1 2537/4885TAAR1 4422/4885
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer IDH2, IDH3B, IDH3A RHOA 4727/4885SLC2A1 2537/4885TAAR1 4422/4885

“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.