SCHEMBL1735138

SCHEMBL1735138

COc1ccc(-c2cnc(Cl)nc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
CLK4 Q9HAZ1 2/20 0.48
ESR2 Q92731 1/20 0.48
DYRK1A Q13627 3/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PLK4 O00444 1/20 0.45
AURKA O14965 1/20 0.45
DYRK3 O43781 1/20 0.45
MAP4K4 O95819 1/20 0.45
NTRK1 P04629 1/20 0.45
INSR P06213 1/20 0.45
CDK1 P06493 1/20 0.45
FGFR1 P11362 1/20 0.45

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
SCHEMBL1744640 0.82 PIK3CD (0.52) PDGFRBPDGFRACLK4ESR2DYRK1A
SCHEMBL14037485 0.81 DYRK1A (0.53) PDGFRBPDGFRACLK4ESR2DYRK1A
SCHEMBL6412792 0.79 CYP1A1 (0.55) CDK1GSK3AGSK3BNPC1RAB9A
SCHEMBL634325 0.79 CDC25A (0.59) PDGFRBPDGFRACLK4ESR2DYRK1A
SCHEMBL27930044 0.77 DYRK1A (0.56) PDGFRBPDGFRACLK4DYRK1ACA12
SCHEMBL459802 0.77
SCHEMBL197522 0.76 CA1 (0.79) CLK4ESR2DYRK1ANPSR1CA12
SCHEMBL9151672 0.76 CA1 (0.79) CLK4ESR2DYRK1ANPSR1CA12
SCHEMBL6733562 0.76 CA1 (0.79) CLK4ESR2DYRK1ANPSR1CA12
SCHEMBL10272489 0.76 MCHR1 (0.47) PDGFRBPDGFRACLK4ESR2DYRK1A

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2686312-B1 N-CYCLOPROPYL-N-PIPERIDINYLBENZAMIDES AS GPR119 MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-08-31 EP disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-8846677-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2014-09-30 US disclosed
US-8822471-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
EP-2686312-A1 N- CYCLOPROPYL - N- PIPERIDINYLBENZAMIDES AS GPR119 MODULATORS Boehringer Ingelheim International GmbH (DE) 2014-01-22 EP disclosed
US-8618132-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-12-31 US disclosed
US-8501739-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-06 US disclosed
US-20130065906-A1 New compounds, pharmaceutical compositions and uses thereof NEUROCRINE BIOSCIENCES, INC. (US) 2013-03-14 US disclosed
EP-1558578-B1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2013-03-13 EP disclosed
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-21 US disclosed
EP-1296981-B1 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2004-10-06 EP disclosed
WO-2004039780-A1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO disclosed
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2004-03-04 US disclosed
US-6635638-B2 Treatment of sexual dysfunction, cardiovascular system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-10-21 US disclosed
EP-1296981-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-04-02 EP disclosed
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 US disclosed
WO-2001087882-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 WO disclosed
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
US-4613603-A Compounds with a nitrogen-containing heterocyclic nucleus, and drugs in which they are present SANOFI (FR) 1986-09-23 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 (4 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-20130065906-A1 New compounds, pharmaceutical compositions and uses thereof GPR119, GPR55, GPR65 PDGFRB 394/4885PDGFRA 359/4885CLK4 4259/4885
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B PDGFRB 658/4885PDGFRA 746/4885CLK4 3955/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R PDGFRB 2826/4885PDGFRA 2688/4885CLK4 2062/4885
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B PDGFRB 658/4885PDGFRA 746/4885CLK4 3955/4885

“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.