SCHEMBL18960396

SCHEMBL18960396

CN(C)c1nc2cc(Nc3ccn(C)n3)ccc2n1CCOc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.39
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
KDR P35968 1/20 0.38
NTRK1 P04629 3/20 0.37
ABL1 P00519 4/20 0.36
BCR P11274 4/20 0.36
IDH1 O75874 8/20 0.36
ITK Q08881 1/20 0.36
SCN9A Q15858 1/20 0.36
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
SCHEMBL17488177 0.94 ALOX5AP (0.38) BRAFKITPDGFRAKDRNTRK1
SCHEMBL18960395 0.80 NTRK1 (0.42) NTRK1IDH1ITK
SCHEMBL17488178 0.74 NTRK1 (0.42) NTRK1IDH1
SCHEMBL17488072 0.72 CXCL8 (0.43) BRAFKDRNTRK1ABL1BCR
SCHEMBL17487511 0.67 CXCL8 (0.53)
SCHEMBL17488075 0.66 KMT2A (0.52) NTRK1IDH1
SCHEMBL17488071 0.66 CXCL8 (0.42) BRAFNTRK1ABL1BCRIDH1
SCHEMBL17488289 0.65 IDH1 (0.46) BRAFKDRNTRK1IDH1ITK
SCHEMBL17487374 0.63 MAPT (0.53)
SCHEMBL17488202 0.63 NOD1 (0.46) NTRK1IDH1

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
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

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 BRAF 3269/4885KIT 4107/4885PDGFRA 1665/4885

“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.