SCHEMBL17488177

SCHEMBL17488177

CN(C)c1nc2ccc(Nc3ccn(C)n3)cc2n1CCOc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 9/20 0.38
MCHR1 Q99705 2/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
HTR2B P41595 1/20 0.37
KIT P10721 1/20 0.37
PDGFRA P16234 1/20 0.37
KDR P35968 1/20 0.37
NTRK1 P04629 1/20 0.37
IDH1 O75874 1/20 0.37
ABL1 P00519 3/20 0.36
BCR P11274 3/20 0.36
SCN9A Q15858 1/20 0.35
BRAF P15056 1/20 0.35
SCD O00767 1/20 0.35

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
SCHEMBL18960396 0.94 BRAF (0.39) KITPDGFRAKDRNTRK1IDH1
SCHEMBL17488178 0.79 NTRK1 (0.42) ALOX5APNTRK1IDH1
SCHEMBL18960395 0.73 NTRK1 (0.42) NTRK1IDH1
SCHEMBL17488071 0.72 CXCL8 (0.42) MCHR1NTRK1IDH1ABL1BCR
SCHEMBL17488202 0.70 NOD1 (0.46) MCHR1NTRK1IDH1
SCHEMBL18965837 0.67 SMN1; SMN2 (0.40) MCHR1
SCHEMBL18960391 0.66 CXCL8 (0.53) MCHR1
SCHEMBL17488072 0.66 CXCL8 (0.43) KDRNTRK1IDH1ABL1BCR
SCHEMBL17488070 0.65 NOD1 (0.52) NTRK1SCN9A
SCHEMBL17488050 0.65 TP53 (0.40) ALOX5APMCHR1KDRIDH1BRAF

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 ALOX5AP 25/4885MCHR1 2605/4885ADRA1D 1129/4885

“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.