SCHEMBL17488178

SCHEMBL17488178

CN(C)c1nc2ccc(N)cc2n1CCOc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.42
CXCL8 P10145 1/20 0.38
NOD1 Q9Y239 1/20 0.38
KMT2A Q03164 1/20 0.38
CBFB Q13951 1/20 0.37
NR1I2 O75469 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
GRM2 Q14416 1/20 0.37
TYMS P04818 1/20 0.36
SCN5A Q14524 1/20 0.35
ALOX5AP P20292 1/20 0.35
RUNX1 Q01196 2/20 0.35
IDH1 O75874 1/20 0.35
DHFR P00374 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
SCHEMBL18960395 0.92 NTRK1 (0.42) NTRK1CXCL8NOD1KMT2ASCN5A
SCHEMBL18960391 0.86 CXCL8 (0.53) CXCL8NOD1KMT2A
SCHEMBL17488070 0.85 NOD1 (0.52) NTRK1CXCL8NOD1KMT2ANR1I2
SCHEMBL17488288 0.81 NTRK1 (0.41) NTRK1CXCL8NOD1KMT2ANR1I2
SCHEMBL17488177 0.79 ALOX5AP (0.38) NTRK1ALOX5APIDH1
SCHEMBL17488279 0.79 NTRK1 (0.41) NTRK1NR1I2CYP1A2CYP2D6CYP2C9
SCHEMBL18960402 0.79 NTRK1 (0.41) NTRK1NR1I2CYP1A2CYP2D6CYP2C9
SCHEMBL17488268 0.77 CYP3A4 (0.45) NTRK1NR1I2CYP1A2CYP2D6CYP2C9
SCHEMBL17487511 0.77 CXCL8 (0.53) CXCL8NOD1KMT2A
SCHEMBL17488075 0.77 KMT2A (0.52) NTRK1CXCL8NOD1KMT2ANR1I2

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 3 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
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 NTRK1 1236/4885CXCL8 834/4885NOD1 2374/4885

“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.