SCHEMBL17812917

SCHEMBL17812917

Cc1cc(Nc2cc(NC(C)C)nc(-c3cccc(C)n3)n2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.57
IDH1 O75874 3/20 0.44
IDH2 P48735 1/20 0.44
CYP1A2 P05177 1/20 0.43
TGFBR2 P37173 1/20 0.42
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
MAPK14 Q16539 1/20 0.40
FFAR1 O14842 1/20 0.39
FLT3 P36888 1/20 0.38
GRM5 P41594 1/20 0.37

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
SCHEMBL21977581 0.87 IDH1 (0.62) TGFBR1IDH1IDH2CYP1A2
SCHEMBL17812902 0.85 TGFBR1 (0.59) TGFBR1CYP1A2ABCB1ABCC1ABCG2
SCHEMBL16391713 0.83 ABCG2 (0.60) ABCB1ABCC1ABCG2
SCHEMBL17812899 0.82 CYP1A2 (0.52) TGFBR1IDH1IDH2CYP1A2ABCB1
SCHEMBL16391808 0.81 TGFBR1 (0.46) TGFBR1IDH1IDH2CYP1A2TGFBR2
SCHEMBL17812903 0.81 TGFBR1 (0.46) TGFBR1IDH1IDH2CYP1A2TGFBR2
SCHEMBL16392137 0.80 IDH1 (0.43) TGFBR1IDH1IDH2CYP1A2ABCB1
SCHEMBL16391950 0.80 TGFBR1 (0.47) TGFBR1IDH1IDH2CYP1A2ABCB1
SCHEMBL21977577 0.80 TGFBR1 (0.47) TGFBR1IDH1IDH2CYP1A2ABCB1
SCHEMBL17812908 0.80 ABCG2 (0.48) TGFBR1IDH1IDH2CYP1A2TGFBR2

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 TGFBR1 3893/4885IDH1 4/4885IDH2 1/4885

“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.