SCHEMBL744972

SCHEMBL744972

COc1cccc(-c2cc[c]nc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2E1 P05181 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP4B1 P13584 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP3A5 P20815 1/20 0.47
CYP2A7 P20853 1/20 0.47
CYP3A7 P24462 1/20 0.47
CYP2F1 P24903 1/20 0.47
CYP2C18 P33260 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP2J2 P51589 1/20 0.47
CYP4F2 P78329 1/20 0.47

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
SCHEMBL1436252 0.81 DYRK1A (0.53) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
SCHEMBL743735 0.79 ESR2 (0.45) DYRK1ACLK4PDGFRBPDGFRAXDH
SCHEMBL29489425 0.78 CYP3A4 (0.73) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
SCHEMBL196765 0.78 CYP3A4 (0.73) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
SCHEMBL1515217 0.77 ENPP3 (0.42) NPY5RNISCH
SCHEMBL14007762 0.77 DYRK1A (0.56) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
SCHEMBL533719 0.77 CYP3A4 (0.55) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
SCHEMBL970459 0.75 DYRK1A (0.51) DYRK1ACLK4PDGFRBPDGFRATDO2
Hydrogen Sulfide SCHEMBL28640169 0.75 CYP3A4 (0.70) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
SCHEMBL29628977 0.75 CYP3A4 (0.77) DYRK1ACLK4CYP1A1CYP1A2CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 US claimed
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 US claimed
EP-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 EP claimed
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2011-10-13 US claimed
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP claimed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US claimed
WO-2008001160-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO claimed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US claimed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP claimed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US claimed
US-20060247239-A1 Melanin concentrating hormone antagonists HU XIUFENG E 2006-11-02 US claimed
JP-2006516145-A 2006-06-22 JP claimed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP claimed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US claimed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP claimed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO claimed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US claimed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO claimed
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2017-02-23 US disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 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 (8 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-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 DYRK1A 1012/4885CLK4 2393/4885CYP1A1 1508/4885
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 DYRK1A 1083/4885CLK4 2490/4885CYP1A1 1532/4885
US-20060247239-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R DYRK1A 1350/4885CLK4 2549/4885CYP1A1 1346/4885
US-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 DYRK1A 1785/4885CLK4 3767/4885CYP1A1 485/4885
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 DYRK1A 1012/4885CLK4 2393/4885CYP1A1 1508/4885
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 DYRK1A 1282/4885CLK4 1716/4885CYP1A1 2262/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 DYRK1A 2269/4885CLK4 4177/4885CYP1A1 375/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 DYRK1A 1785/4885CLK4 3767/4885CYP1A1 485/4885

“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.