SCHEMBL7361765

SCHEMBL7361765

Nc1ncc(Cl)c(N)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
SCN2A Q99250 1/20 0.36
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
PLAU P00749 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
GAA P10253 1/20 0.31
CSNK1A1 P48729 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
AHCY P23526 1/20 0.30

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
SCHEMBL7911779 0.81 DYRK1A (0.42) DYRK1ASCN2ACYP3A4PLAUHTT
SCHEMBL4596087 0.79 DYRK1A (0.41) DYRK1ASCN2AALDH1A1CYP3A4PLAU
SCHEMBL4375909 0.79 DYRK1A (0.32) DYRK1AALDH1A1CYP3A4PLAUHTT
SCHEMBL29365456 0.75 DYRK1A (0.31) DYRK1A
SCHEMBL11610661 0.75 PLAU (0.33) DYRK1APLAU
SCHEMBL2223631 0.75 PLAU (0.50) DYRK1ASCN2AALDH1A1PLAUKMT2A
SCHEMBL29142223 0.75 DYRK1A (0.38) DYRK1A
SCHEMBL17670982 0.75 PLAU (0.37) DYRK1APLAUKMT2ANOS3NOS1
SCHEMBL22831886 0.75 DYRK1A (0.38) DYRK1ASCN2A
SCHEMBL29509758 0.75 DYRK1A (0.38) DYRK1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701635-B2 C-H fluorination of heterocycles with silver (II) fluoride THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-07-11 US disclosed
US-20160185723-A1 C-H FLUORINATION OF HETEROCYCLES WITH SILVER (II) FLUORIDE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-30 US disclosed
WO-2015013715-A2 C-H FLUORINATION OF HETEROCYCLES WITH SILVER (II) FLUORIDE THR REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-01-29 WO disclosed
EP-0901482-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-03-17 EP disclosed
EP-0873331-A1 BENZOFURAN CARBOXAMIDES AND SULPHONAMIDES Darwin Discovery Limited (GB) 1998-10-28 EP disclosed
US-5773467-A Benzofuran sulphonanmides CHIROSCIENCE, LTD. (GB) 1998-06-30 US disclosed
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
WO-1997044337-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO disclosed
WO-1997020833-A1 BENZOFURAN CARBOXAMIDES AND SULPHONAMIDES DARWIN DISCOVERY LIMITED (GB) 1997-06-12 WO disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 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-20160185723-A1 C-H FLUORINATION OF HETEROCYCLES WITH SILVER (II) FLUORIDE AFF2, INF2, NPFFR2 DYRK1A 1206/4885SCN2A 419/4885ALDH1A1 2255/4885

“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.