SCHEMBL17488198

SCHEMBL17488198

Nc1ccc2nc(NC3CCCC3)n(CCOc3ccc(OC(F)(F)F)cc3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 5/20 0.40
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
NTRK1 P04629 2/20 0.39
GALR2 O43603 1/20 0.38
GALR1 P47211 1/20 0.38
ALOX5AP P20292 5/20 0.36
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
NR1I2 O75469 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
GRM2 Q14416 1/20 0.35
SYK P43405 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
SCHEMBL17488288 0.82 NTRK1 (0.41) IDH1NTRK1NR1I2CYP1A2CYP2D6
SCHEMBL17488070 0.81 NOD1 (0.52) NTRK1NR1I2CYP1A2CYP2D6CYP2C9
SCHEMBL18960402 0.79 NTRK1 (0.41) NTRK1MCHR1NR1I2CYP1A2CYP2D6
SCHEMBL17488279 0.79 NTRK1 (0.41) NTRK1MCHR1NR1I2CYP1A2CYP2D6
SCHEMBL17488178 0.76 NTRK1 (0.42) IDH1NTRK1ALOX5APNR1I2CYP1A2
SCHEMBL17488268 0.75 CYP3A4 (0.45) IDH1NTRK1MCHR1NR1I2CYP1A2
SCHEMBL17488289 0.75 IDH1 (0.46) IDH1NTRK1
SCHEMBL18960403 0.74 NTRK1 (0.41) NTRK1NR1I2CYP1A2CYP2D6CYP2C9
SCHEMBL17487910 0.72 NTRK1 (0.38) NTRK1ALOX5APMCHR1NR1I2CYP1A2
SCHEMBL17488075 0.72 KMT2A (0.52) IDH1NTRK1NR1I2CYP1A2CYP2D6

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 IDH1 1717/4885GABBR2 1056/4885GABBR1 1345/4885

“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.