SCHEMBL83516

SCHEMBL83516

O=C(C=CC=Cc1cccnc1)NCCC1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 5/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ BCHE P06276 8/20 0.48
▸ ACHE P22303 8/20 0.48
▸ ALOX5 P09917 1/20 0.47
▸ DRD2 P14416 3/20 0.47
▸ DRD3 P35462 3/20 0.47
▸ MAOA P21397 2/20 0.44
▸ C3AR1 Q16581 1/20 0.43
▸ MAOB P27338 1/20 0.42

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
SCHEMBL3080509 1.00 NAMPT (0.56) NAMPTCYP3A4CYP2C9BCHEACHE
SCHEMBL6783437 0.94 NAMPT (0.65) NAMPTCYP3A4CYP2C9ALOX5DRD2
SCHEMBL82394 0.94 NAMPT (0.65) NAMPTCYP3A4CYP2C9ALOX5DRD2
SCHEMBL3085836 0.94 NAMPT (0.65) NAMPTCYP3A4CYP2C9ALOX5DRD2
SCHEMBL82054 0.94 NAMPT (0.63) NAMPTCYP3A4CYP2C9BCHEACHE
SCHEMBL82053 0.94 NAMPT (0.63) NAMPTCYP3A4CYP2C9BCHEACHE
SCHEMBL3089037 0.93 NAMPT (0.64) NAMPTCYP3A4CYP2C9ALOX5DRD2
SCHEMBL3086668 0.93 NAMPT (0.64) NAMPTCYP3A4CYP2C9ALOX5DRD2
SCHEMBL82754 0.93 NAMPT (0.64) NAMPTCYP3A4CYP2C9ALOX5DRD2
SCHEMBL83212 0.93 NAMPT (0.64) NAMPTCYP3A4CYP2C9ALOX5DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4607319-B2 — — 2011-01-05 — — JP claimed
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 — — US claimed
EP-1487444-B9 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-07-21 — — EP claimed
US-20090325923-A1 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES TOPOTARGET SWITZERLAND SA (CH) 2009-12-31 — — US claimed
EP-1487444-B1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2009-12-30 — — EP claimed
WO-2009109610-A1 USE OF NAD INFORMATION INHIBITORS FOR THE TREATMENT OF ISCHEMIA-REPERFUSION INJURY TOPOTARGET SWITZERLAND S.A. (CH) 2009-09-11 — — WO claimed
US-7241745-B2 Pyridyl alkene and pyridyl alkine acid amides as cytostatics and immunosupressives ASTELLAS PHARMA GMBH (DE) 2007-07-10 — — US claimed
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives BIEDERMANN ELFI 2007-06-21 — — US claimed
US-20060052419-A1 Use of pyridly amides as inhibitors of angiogenesis ASTELLAS DEUTSCHLAND GMBH (DE) 2006-03-09 — — US claimed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 — — EP claimed
US-20040009967-A1 Pyridyl alkene- and pyridyl alkine- acid amides as cytostatics and immuno-suppressives KLINGE PHARMA GMBH 2004-01-15 — — US claimed
EP-1348434-A1 Use of pyridyl amides as inhibitors of angiogenesis Fujisawa Deutschland GmbH (DE) 2003-10-01 — — EP claimed
EP-0923570-B1 PYRIDYL ALKENE- AND PYRIDYL ALKINE- ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES FUJISAWA DEUTSCHLAND GMBH (DE) 2002-09-25 — — EP claimed
JP-2002512190-A — — 2002-04-23 — — JP claimed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 — — EP claimed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 — — WO claimed
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 — — US disclosed
EP-1487444-B9 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-07-21 — — EP disclosed
EP-0923570-B1 PYRIDYL ALKENE- AND PYRIDYL ALKINE- ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES FUJISAWA DEUTSCHLAND GMBH (DE) 2002-09-25 — — EP disclosed
CN-1228777-A Pyridylalkane-and pyridylalkyne-acid amides as cytostatics and immunosuppressants KLINGE CO CHEM PHARM FAB (DE) 1999-09-15 — — CN 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 (5 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-20040009967-A1 Pyridyl alkene- and pyridyl alkine- acid amides as cytostatics and immuno-suppressives IDO1, ALK, ARG1 NAMPT 350/4885CYP3A4 1520/4885CYP2C9 2017/4885
US-20060052419-A1 Use of pyridly amides as inhibitors of angiogenesis FLT1, VEGFA, FLT4 NAMPT 14/4885CYP3A4 1548/4885CYP2C9 1150/4885
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives ALK, TYMP, PDCD1 NAMPT 151/4885CYP3A4 1137/4885CYP2C9 1645/4885
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT NAMPT 2/4885CYP3A4 905/4885CYP2C9 810/4885
US-20090325923-A1 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES NAMPT, NNMT, NQO2 NAMPT 1/4885CYP3A4 1914/4885CYP2C9 2782/4885

“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.

Send feedback