SCHEMBL5013390

SCHEMBL5013390

NCc1c(Cl)cncc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 8/20 0.43
AOC1 P19801 2/20 0.43
GAA P10253 1/20 0.37
LOX P28300 2/20 0.36
PNMT P11086 2/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
CDK2 P24941 1/20 0.33
DPP4 P27487 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
PDE4D Q08499 1/20 0.32
ADRB2 P07550 1/20 0.31

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 SCHEMBL5010440 0.97 AOC3 (0.46) AOC3AOC1GAALOXPNMT
SCHEMBL30937573 0.85 GAA (0.41) AOC3AOC1GAALOXICAM1
SCHEMBL17048782 0.79 TAAR1 (0.56) GAAPNMTTAAR1
SCHEMBL17372486 0.74 AOC1 (0.57) AOC3AOC1
SCHEMBL1563996 0.74 GAA (0.33) GAAICAM1SELEVCAM1PDE4D
SCHEMBL321133 0.72 PDXK (0.40) GAAICAM1SELEVCAM1PDE4D
SCHEMBL10079575 0.72 PDE4D (0.35) AOC3GAAPDE4DADRB2
SCHEMBL6743423 0.72 GAA (0.32) GAAPDE4DADRB2
Hydrochloric Acid SCHEMBL6627836 0.72 GAA (0.32) GAAPDE4DADRB2
SCHEMBL12386391 0.72 ADRB2 (0.35) GAAPDE4DADRB2

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
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
US-20220388979-A1 QUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2022-12-08 US disclosed
WO-2022109078-A1 AROMATIC BORON-CONTAINING COMPOUNDS AND INSULIN ANALOGS PROTOMER TECHNOLOGIES INC. (US) 2022-05-27 WO disclosed
WO-2021023888-A1 ISOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2021-02-11 WO disclosed
EP-1758883-B1 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORP (US) 2011-11-02 EP disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
WO-2005116009-A1 SUBSTITUTED 2-QUINOLYL-OXAZOLES USEFUL AS PDE4 INHIBITORS SCHERING CORPORATION (US) 2005-12-08 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 (2 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-20220388979-A1 QUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ABL1, PHKB, EEF2K AOC3 4617/4885AOC1 4444/4885GAA 2758/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL AOC3 850/4885AOC1 1665/4885GAA 53/4885

“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.