SCHEMBL17488245

SCHEMBL17488245

CCC(Nc1nc2ccc(NC3COC3)cc2n1C)c1ccc(Oc2ncc(C(F)(F)F)cn2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.40
KDR P35968 5/20 0.35
BRAF P15056 5/20 0.35
TEK Q02763 3/20 0.35
RAF1 P04049 2/20 0.35
SCN9A Q15858 7/20 0.34
SCN7A Q01118 2/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
IDH1 O75874 3/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
HTR2B P41595 1/20 0.31
STK25 O00506 1/20 0.31
CIT O14578 1/20 0.31
EPHB6 O15197 1/20 0.31
MAP3K7 O43318 1/20 0.31
RIPK2 O43353 1/20 0.31
PAK3 O75914 1/20 0.31

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
SCHEMBL18965891 0.91 SCN9A (0.44) MCHR1SCN9ASCN7AKCNH2SCN5A
SCHEMBL17488255 0.90 MCHR1 (0.42) MCHR1KDRBRAFTEKRAF1
SCHEMBL17488053 0.82 MCHR1 (0.40) MCHR1KDRBRAFTEKRAF1
SCHEMBL18965792 0.81 MCHR1 (0.41) MCHR1KDRBRAFTEKRAF1
SCHEMBL18965935 0.81 SCN9A (0.44) MCHR1SCN9ASCN7AKCNH2SCN5A
SCHEMBL17488131 0.80 MCHR1 (0.41) MCHR1KDRBRAFTEKRAF1
SCHEMBL18965789 0.80 ATP1A1 (0.35) MCHR1BRAFIDH1
SCHEMBL17488231 0.79 SCN9A (0.34) MCHR1KDRTEKSCN9ASCN7A
SCHEMBL17488337 0.76 TP53 (0.40) MCHR1SCN9AIDH1
SCHEMBL17488335 0.76 SCN9A (0.44) KDRTEKSCN9ASCN7AKCNH2

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 MCHR1 2605/4885KDR 2470/4885BRAF 3269/4885

“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.