SCHEMBL899224

SCHEMBL899224

Cc1cc(NCCN)c2ccccc2n1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.71
NCF1 P14598 5/20 0.69
FERMT2 Q96AC1 1/20 0.56
OPRK1 P41145 1/20 0.56
NQO2 P16083 3/20 0.54

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
Hydrochloric Acid SCHEMBL899167 0.90 CYP2C19 (0.70) CYP2C19NCF1OPRK1NQO2
SCHEMBL11934982 0.88 CYP2C19 (0.64) CYP2C19NCF1OPRK1NQO2
Quindecamine SCHEMBL2111177 0.86 CYP2C19 (0.73) CYP2C19NCF1OPRK1NQO2
SCHEMBL22390054 0.86 CYP2C19 (0.73) CYP2C19NCF1OPRK1NQO2
SCHEMBL5446310 0.84 CYP2C19 (0.71) CYP2C19NCF1OPRK1NQO2
SCHEMBL5436954 0.84 CYP2C19 (0.97) CYP2C19NCF1OPRK1
Hydrochloric Acid SCHEMBL8686028 0.83 CYP2C19 (1.00) CYP2C19NCF1OPRK1
SCHEMBL7500041 0.83 CYP2C19 (0.69) CYP2C19NCF1OPRK1
SCHEMBL18290253 0.83 NCF1 (0.81) CYP2C19NCF1OPRK1NQO2
SCHEMBL23015234 0.82 CYP2C19 (0.64) CYP2C19NCF1OPRK1NQO2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621903-B1 N-HETEROARYL COMPOUNDS INTERVET INT BV (NL) 2017-03-01 EP disclosed
US-8877934-B2 N-heteroaryl compounds INTERVET INC. (US) 2014-11-04 US disclosed
EP-2621903-A1 N-HETEROARYL COMPOUNDS Intervet International B.V. (NL) 2013-08-07 EP disclosed
US-20130196993-A1 N-HETEROARYL COMPOUNDS INTERVET INC. 2013-08-01 US disclosed
WO-2012041873-A1 N-HETEROARYL COMPOUNDS INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 WO disclosed
US-4608383-A Cardioactive pyrazole and imidazole aryloxypropanolamines BOEHRINGER MANNHEIM GMBH (DE) 1986-08-26 US disclosed
US-4438128-A ADRENERGIC BLOCKERS BOEHRINGER MANNHEIM GMBH (DE) 1984-03-20 US disclosed
EP-0042593-A1 Aryloxy-propanol amines, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1981-12-30 EP 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-20130196993-A1 N-HETEROARYL COMPOUNDS HNMT, SQLE, PIGO CYP2C19 150/4885NCF1 681/4885FERMT2 2362/4885

“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.