SCHEMBL17488185

SCHEMBL17488185

Nc1nc2ccc(Nc3n[nH]cc3C(=O)NC3CC3)cc2n1CCOc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 8/20 0.41
MCHR1 Q99705 6/20 0.40
MCHR2 Q969V1 2/20 0.39
SYK P43405 1/20 0.38
NTRK1 P04629 1/20 0.37
AXL P30530 1/20 0.36
TYK2 P29597 1/20 0.36
SCN9A Q15858 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
SCHEMBL17488184 0.97 IDH1 (0.42) IDH1MCHR1MCHR2SYKAXL
SCHEMBL17488080 0.86 IDH1 (0.40) IDH1MCHR1MCHR2NTRK1
SCHEMBL17488071 0.76 CXCL8 (0.42) IDH1MCHR1MCHR2NTRK1SCN9A
SCHEMBL17488070 0.73 NOD1 (0.52) NTRK1SCN9A
SCHEMBL17488202 0.73 NOD1 (0.46) IDH1MCHR1MCHR2NTRK1
SCHEMBL17488072 0.70 CXCL8 (0.43) IDH1NTRK1SCN9A
SCHEMBL17488027 0.68 MCHR1 (0.41) MCHR1AXL
SCHEMBL17488075 0.67 KMT2A (0.52) IDH1NTRK1
SCHEMBL17488198 0.67 IDH1 (0.40) IDH1MCHR1SYKNTRK1
SCHEMBL17488287 0.65 HPGD (0.51) MCHR1MCHR2NTRK1

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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 IDH1 1717/4885MCHR1 2605/4885MCHR2 3472/4885

“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.