SCHEMBL118913

SCHEMBL118913

CCOC(=O)c1nc2ccccn2c1CO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.65
PTGS2 P35354 1/20 0.65
MAPK1 P28482 2/20 0.63
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NTRK1 P04629 1/20 0.57
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 7/20 0.50
GAA P10253 4/20 0.50
PDE4A P27815 1/20 0.50
TSHR P16473 1/20 0.49
RXFP1 Q9HBX9 2/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL3082062 0.88 PTGS1 (0.64) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL12441268 0.88 PTGS1 (0.64) PTGS1PTGS2MAPK1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL2218615 0.86 PTGS1 (0.62) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL2220716 0.86 KDM4E (0.68) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL872190 0.86 PTGS1 (0.68) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL119057 0.85 PTGS1 (0.61) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL2219061 0.84 PTGS1 (0.60) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL23387882 0.83 PTGS1 (0.65) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL117699 0.83 PTGS1 (0.65) PTGS1PTGS2MAPK1CYP1A2CYP2C9
SCHEMBL118200 0.83 PTGS1 (0.65) PTGS1PTGS2MAPK1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 US disclosed
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 US disclosed
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 US disclosed
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-07-09 US disclosed
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-07-09 US disclosed
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-07-09 US disclosed
US-9045436-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-02 US disclosed
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
WO-2010126745-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS β-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-04 WO disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 US disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 US disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 US disclosed
WO-2003006471-A1 HETEROARYL SUBSTITUTED FUSED BICYCLIC HETEROARYL COMPOUNDS AS GABAA RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2003-01-23 WO disclosed
US-6420365-B1 Imidazopyridines and related derivatives as selective modulators of bradykinin B2 receptors NEUROGEN CORPORATION 2002-07-16 US disclosed
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP disclosed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 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 (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-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE PTGS1 36/4885PTGS2 98/4885MAPK1 280/4885
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE PTGS1 74/4885PTGS2 152/4885MAPK1 563/4885
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE PTGS1 74/4885PTGS2 152/4885MAPK1 563/4885
US-20100137587-A1 Heterocyclic compound and use thereof REN, AGT, ACE PTGS1 74/4885PTGS2 152/4885MAPK1 563/4885

“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.