SCHEMBL485686

SCHEMBL485686

FC(F)(F)c1cc(Cl)c2cc(CBr)ccc2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 4/20 0.65
EGFR P00533 1/20 0.42
EPHA2 P29317 1/20 0.42
KDR P35968 1/20 0.42
EPHB4 P54760 1/20 0.42
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ADRB2 P07550 4/20 0.36
FABP4 P15090 2/20 0.36
LMNA P02545 2/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 1/20 0.35
IGF1R P08069 1/20 0.34
SLC2A1 P11166 2/20 0.34
SLC2A3 P11169 2/20 0.34
SLC2A2 P11168 1/20 0.34
SLC2A4 P14672 1/20 0.34

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
SCHEMBL27766191 0.88 NT5E (0.61) NT5EEGFREPHA2KDREPHB4
SCHEMBL14591907 0.84 NT5E (0.60) NT5EEGFREPHA2KDREPHB4
SCHEMBL11955074 0.82 NT5E (0.57) NT5EEGFREPHA2KDREPHB4
SCHEMBL14307070 0.82 NT5E (0.57) NT5EEGFREPHA2KDREPHB4
SCHEMBL13197081 0.81 NT5E (0.56) NT5EEGFREPHA2KDREPHB4
SCHEMBL1599148 0.80 KDM4E (0.51) NT5EKDM4ECYP3A4CYP2C19HIF1A
SCHEMBL5558246 0.79 NT5E (1.00) NT5EKDM4ECYP2C19LMNASLC2A1
SCHEMBL30492143 0.78 NT5E (0.70) NT5EKDM4EADRB2LMNAADORA2A
SCHEMBL2709700 0.78 NT5E (0.70) NT5EKDM4EADRB2LMNAADORA2A
SCHEMBL9724211 0.78 NT5E (0.39) NT5EKDM4ECYP3A4CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448939-B1 2,3-DIHYDRO-1H-IMIDAZO {1,2-A} PYRIMIDIN-5-ONE DERIVATIVES, THE PREPARATION AND PHARMACEUTICAL USE THEREOF SANOFI SA (FR) 2017-03-01 EP disclosed
US-8828997-B2 2,3-dihydro-1H-imidazo(1,2-a)pyrimidin-5-one derivatives, preparation thereof, and pharmaceutical use thereof SANOFI (FR) 2014-09-09 US disclosed
US-20140024583-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-01-23 US disclosed
US-8501746-B2 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2013-08-06 US disclosed
EP-2546254-A1 Imidazo[4,5-C]pyridine compounds and methods of antiviral treatment K.U.Leuven Research & Development (BE) 2013-01-16 EP disclosed
US-8329727-B2 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-11 US disclosed
US-8283479-B2 CXCR2 inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
US-20120142679-A1 NOVEL 2,3-DIHYDRO-1H-IMIDAZO(1,2-A)PYRIMIDIN-5-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2012-06-07 US disclosed
EP-1836158-B1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI AVENTIS DEUTSCHLAND (DE) 2012-02-01 EP disclosed
US-20110184177-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-28 US disclosed
EP-1027332-B1 NOVEL LACTAM METALLOPROTEASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-26 EP disclosed
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
US-20030134827-A1 Novel lactam metalloprotease inhibitors DUAN JINGWU (US) 2003-07-17 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
EP-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 EP disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 WO disclosed
WO-1999000669-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION ISIS PHARMACEUTICALS, INC. (US) 1999-01-07 WO disclosed
US-5112837-A Inhibitors of thymidylate synthetase enzyme IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-12 US disclosed
EP-0318225-A2 6-Aryl aminomethyl quinoline derivatives and their use as anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP 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-20110184177-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 NT5E 2747/4885EGFR 885/4885EPHA2 563/4885
US-20030134827-A1 Novel lactam metalloprotease inhibitors ADAM9, ADAM8, ADAM17 NT5E 2118/4885EGFR 1518/4885EPHA2 4816/4885
US-20140024583-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 NT5E 2524/4885EGFR 3925/4885EPHA2 3854/4885
US-20120142679-A1 NOVEL 2,3-DIHYDRO-1H-IMIDAZO(1,2-A)PYRIMIDIN-5-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF LPXN, LBR, HCLS1 NT5E 4206/4885EGFR 3561/4885EPHA2 3585/4885

“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.