SCHEMBL17812914

SCHEMBL17812914

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 9/20 0.47
IDH1 O75874 4/20 0.46
ABCB11 O95342 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
PTGS1 P23219 1/20 0.46
ADORA1 P30542 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
KDR P35968 1/20 0.46
KCNH2 Q12809 1/20 0.46
SYK P43405 8/20 0.45
TGFBR1 P36897 2/20 0.41

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
SCHEMBL16391799 0.90 IDH2 (0.59) IDH2IDH1ABCB11ADORA3CHRM1
SCHEMBL17812905 0.86 SYK (0.50) IDH2IDH1SYKTGFBR1
SCHEMBL17812898 0.85 TGFBR1 (0.45) IDH2IDH1ABCB11ADORA3CHRM1
SCHEMBL17812904 0.83 IDH1 (0.58) IDH2IDH1SYK
SCHEMBL17812900 0.82 TGFBR1 (0.52) IDH2IDH1ABCB11ADORA3CHRM1
SCHEMBL17812906 0.81 SYK (0.50) IDH2SYKTGFBR1
SCHEMBL16391812 0.78 IDH2 (0.57) IDH2IDH1ABCB11ADORA3CHRM1
SCHEMBL17812909 0.77 IDH2 (0.50) IDH2IDH1KDRSYKTGFBR1
SCHEMBL16391840 0.75 IDH1 (0.75) IDH2IDH1ABCB11ADORA3CHRM1
SCHEMBL16392169 0.75 IDH1 (0.56) IDH2IDH1ABCB11ADORA3CHRM1

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 1/4885IDH1 4/4885ABCB11 2849/4885

“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.