SCHEMBL3354495

SCHEMBL3354495

Cc1nc2ncccc2c(=O)o1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.56
F2 P00734 1/20 0.54
F10 P00742 1/20 0.54
F7 P08709 1/20 0.54
F3 P13726 1/20 0.54
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
IDO1 P14902 4/20 0.41
HCAR2 Q8TDS4 2/20 0.41
DHODH Q02127 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
XPO1 O14980 1/20 0.38

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
SCHEMBL2301620 0.78 ELANE (0.59) ELANEF2F10F7F3
SCHEMBL1484086 0.78 F2 (0.50) ELANEF2F10F7F3
SCHEMBL26438943 0.78 F2 (0.50) ELANEF2F10F7F3
SCHEMBL6519360 0.76 ELANE (0.61) ELANEF2F10F7F3
SCHEMBL5265537 0.75 F2 (0.50) ELANEF2F10F7F3
SCHEMBL14571456 0.75 F2 (0.65) ELANEF2F10F7F3
SCHEMBL5110242 0.74 ELANE (0.62) ELANEF2F10F7F3
SCHEMBL4933414 0.74 TDP2 (0.46) ELANEF2F10F7F3
SCHEMBL316306 0.73 KDM4E (0.53) KDM4EALDH1A1NPC1L3MBTL1
SCHEMBL12351984 0.72 ELANE (0.41) ELANEKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783537-B2 3-(4-ethylnylphenyl) pyridopyrimidinone compounds and process for preparation thereof useful as potential anticancer agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-10-10 US claimed
US-20160222006-A1 3-(4-Ethylnylphenyl) Pyridopyrimidinone Compounds and Process for Preparation Thereof Useful As Potential Anticancer Agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-04 US claimed
US-9783537-B2 3-(4-ethylnylphenyl) pyridopyrimidinone compounds and process for preparation thereof useful as potential anticancer agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-10-10 US disclosed
US-9783537-B2 3-(4-ethylnylphenyl) pyridopyrimidinone compounds and process for preparation thereof useful as potential anticancer agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-10-10 US disclosed
US-9783537-B2 3-(4-ethylnylphenyl) pyridopyrimidinone compounds and process for preparation thereof useful as potential anticancer agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-10-10 US disclosed
US-20160222006-A1 3-(4-Ethylnylphenyl) Pyridopyrimidinone Compounds and Process for Preparation Thereof Useful As Potential Anticancer Agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-04 US disclosed
US-20160222006-A1 3-(4-Ethylnylphenyl) Pyridopyrimidinone Compounds and Process for Preparation Thereof Useful As Potential Anticancer Agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-04 US disclosed
US-20160222006-A1 3-(4-Ethylnylphenyl) Pyridopyrimidinone Compounds and Process for Preparation Thereof Useful As Potential Anticancer Agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-04 US disclosed
US-20160108038-A1 BICYCLIC ARYL SULFIDE AND ARYL SULFOXIDE DERIVATIVES AS PEST CONTROL AGENT BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
US-20160108038-A1 BICYCLIC ARYL SULFIDE AND ARYL SULFOXIDE DERIVATIVES AS PEST CONTROL AGENT BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
US-20160108038-A1 BICYCLIC ARYL SULFIDE AND ARYL SULFOXIDE DERIVATIVES AS PEST CONTROL AGENT BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
US-6638944-B2 Have urea containing substituent at 1-position; induce biosynthesis of cytokines such as interferon and tumor necrosis factor, exhibit antiviral and antitumor properties 3M INNOVATIVE PROPERTIES COMPANY 2003-10-28 US disclosed
US-6624172-B2 Imidazonaphthyridine and tetrahydroimidazonaphthyridine compounds induce the biosynthesis of cytokines such as interferon and tumor necrosis factor, and useful as viricides and antitumor agents 3M INNOVATIVE PROPERTIES COMPANY 2003-09-23 US disclosed
US-20030096998-A1 Imidazonaphtyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-05-22 US disclosed
US-20030083500-A1 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-05-01 US disclosed
US-6518280-B2 Antiviral and antitumor properties; immunomodulators and for inducing cytokine biosynthesis in animals 3M INNOVATIVE PROPERTIES COMPANY 2003-02-11 US disclosed
US-6514985-B1 Induce the biosynthesis of cytokines such as interferon and tumor necrosis factor; exhibit antiviral and antitumor properties 3M INNOVATIVE PROPERTIES COMPANY 2003-02-04 US disclosed
US-20020173653-A1 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2002-11-21 US disclosed
US-20020173654-A1 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2002-11-21 US disclosed
US-6194425-B1 VIRICIDES, ANTITUMOR AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2001-02-27 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 (6 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-20030083500-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 ELANE 1151/4885F2 3576/4885F10 3128/4885
US-20030096998-A1 Imidazonaphtyridines IFNG, IRF3, IFNAR1 ELANE 1210/4885F2 3739/4885F10 3168/4885
US-20160108038-A1 BICYCLIC ARYL SULFIDE AND ARYL SULFOXIDE DERIVATIVES AS PEST CONTROL AGENT AADAC, AHR, ARSA ELANE 4004/4885F2 2128/4885F10 2664/4885
US-20160222006-A1 3-(4-Ethylnylphenyl) Pyridopyrimidinone Compounds and Process for Preparation Thereof Useful As Potential Anticancer Agents CBR3, HCCS, CYP3A4 ELANE 4854/4885F2 3458/4885F10 4024/4885
US-20020173653-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 ELANE 1151/4885F2 3576/4885F10 3128/4885
US-20020173654-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 ELANE 1151/4885F2 3576/4885F10 3128/4885

“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.