SCHEMBL17812909

SCHEMBL17812909

Cc1cccc(-c2nc(Nc3cc(C(C)(F)F)ccn3)cc(NC(C)C)n2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 3/20 0.50
CYP1A2 P05177 1/20 0.46
TGFBR1 P36897 2/20 0.43
SYK P43405 3/20 0.41
IDH1 O75874 8/20 0.40
MAP3K12 Q12852 3/20 0.37
FFAR1 O14842 1/20 0.37
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
IGF1R P08069 1/20 0.36
LTK P29376 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL16391813 0.89 IDH1 (0.53) IDH2CYP1A2IDH1
SCHEMBL17812903 0.84 TGFBR1 (0.46) IDH2CYP1A2TGFBR1SYKIDH1
SCHEMBL16391808 0.83 TGFBR1 (0.46) IDH2CYP1A2TGFBR1IDH1FFAR1
SCHEMBL16391622 0.82 IDH2 (0.56) IDH2CYP1A2SYKIDH1
SCHEMBL17812905 0.82 SYK (0.50) IDH2TGFBR1SYKIDH1MAP3K12
SCHEMBL17812899 0.81 CYP1A2 (0.52) IDH2CYP1A2TGFBR1IDH1FFAR1
SCHEMBL17812908 0.81 ABCG2 (0.48) IDH2CYP1A2TGFBR1IDH1MAP3K12
SCHEMBL17812910 0.80 CYP1A2 (0.55) IDH2CYP1A2TGFBR1IDH1
SCHEMBL17812917 0.78 TGFBR1 (0.57) IDH2CYP1A2TGFBR1IDH1FFAR1
SCHEMBL17812906 0.78 SYK (0.50) IDH2TGFBR1SYKMAP3K12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 IDH2 1/4885CYP1A2 197/4885TGFBR1 3893/4885

“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.