SCHEMBL17812904

SCHEMBL17812904

Cc1cccc(-c2nc(NCC3CC3)cc(Nc3cc(C(F)(F)F)ccn3)n2)n1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.58
SYK P43405 10/20 0.55
MAP3K12 Q12852 6/20 0.45
CRHR1 P34998 1/20 0.45
IDH2 P48735 1/20 0.43

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
SCHEMBL16391618 0.89 IDH1 (0.74) IDH1SYKIDH2
SCHEMBL17812914 0.83 IDH2 (0.47) IDH1SYKIDH2
SCHEMBL17812905 0.83 SYK (0.50) IDH1SYKMAP3K12IDH2
SCHEMBL17812906 0.81 SYK (0.50) SYKMAP3K12IDH2
Cyanide SCHEMBL28066875 0.76 IDH1 (0.68) IDH1SYKIDH2
SCHEMBL16391777 0.74 IDH1 (0.76) IDH1IDH2
SCHEMBL16393287 0.74 IDH1 (1.00) IDH1IDH2
SCHEMBL17812909 0.74 IDH2 (0.50) IDH1SYKMAP3K12IDH2
SCHEMBL16391799 0.74 IDH2 (0.59) IDH1IDH2
SCHEMBL904195 0.74 SYK (0.52) SYKMAP3K12IDH2

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 IDH1 4/4885SYK 4358/4885MAP3K12 3683/4885

“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.