SCHEMBL18960403

SCHEMBL18960403

Nc1ccc2nc(-n3cc(F)cn3)n(CCOc3ccc(OC(F)(F)F)cc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.41
RXRA P19793 3/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
CXCL8 P10145 1/20 0.34
NOD1 Q9Y239 1/20 0.34
KMT2A Q03164 1/20 0.34
RUNX1 Q01196 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34
NR1I2 O75469 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
GRM2 Q14416 1/20 0.34
TRPV4 Q9HBA0 1/20 0.32
CBFB Q13951 1/20 0.32
ADORA2A P29274 1/20 0.32
NSD2 O96028 1/20 0.32
NSD3 Q9BZ95 1/20 0.32

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
SCHEMBL17487325 0.93 NTRK1 (0.41) NTRK1RXRAGRIN1GRIN2BCXCL8
SCHEMBL17488070 0.81 NOD1 (0.52) NTRK1CXCL8NOD1KMT2ARUNX1
SCHEMBL17488279 0.81 NTRK1 (0.41) NTRK1RUNX1NR1I2CYP1A2CYP2D6
SCHEMBL18960402 0.81 NTRK1 (0.41) NTRK1RUNX1NR1I2CYP1A2CYP2D6
SCHEMBL17488178 0.76 NTRK1 (0.42) NTRK1CXCL8NOD1KMT2ARUNX1
SCHEMBL17487910 0.76 NTRK1 (0.38) NTRK1RUNX1NR1I2CYP1A2CYP2D6
SCHEMBL17488288 0.75 NTRK1 (0.41) NTRK1CXCL8NOD1KMT2ANR1I2
SCHEMBL17488198 0.74 IDH1 (0.40) NTRK1NR1I2CYP1A2CYP2D6CYP2C9
SCHEMBL17488263 0.73 NTRK1 (0.41) NTRK1CXCL8NOD1KMT2ANR1I2
SCHEMBL17488188 0.73 NTRK1 (0.41) NTRK1NR1I2CYP1A2CYP2D6CYP2C9

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 NTRK1 1236/4885RXRA 382/4885GRIN1 711/4885

“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.