SCHEMBL466537

SCHEMBL466537

Cc1cn(CCCN)cn1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 18/20 0.43
ALPL P05186 2/20 0.40
PLAA Q9Y263 1/20 0.40
ALPG P10696 1/20 0.39

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
Hydrochloric Acid SCHEMBL6491461 0.98 QPCT (0.43) QPCTALPLPLAAALPG
Hydrochloric Acid SCHEMBL11092935 0.98 QPCT (0.43) QPCTALPLPLAAALPG
SCHEMBL10831845 0.94 QPCT (0.43) QPCTALPLPLAAALPG
SCHEMBL1178918 0.88
SCHEMBL31251980 0.87 QPCT (0.48) QPCTALPLPLAAALPG
Bromide SCHEMBL6375209 0.86 ALPL (0.41) QPCTALPLPLAAALPG
SCHEMBL634200 0.82 CYP1A2 (0.45) QPCTALPLPLAA
SCHEMBL8591843 0.80 TBXAS1 (0.44) QPCTALPLPLAA
Hydrochloric Acid SCHEMBL28293731 0.80 CYP1A2 (0.44) QPCTALPLPLAAALPG
Iodide SCHEMBL28009205 0.80 CYP1A2 (0.44) QPCTALPLPLAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
EP-2170876-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF RESTENOSIS COMPRISING ISOXAZOLE DERIVATIVES SK HOLDINGS CO LTD (KR) 2011-12-28 EP claimed
US-20110028506-A1 Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-02-03 US claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US disclosed
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US disclosed
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US disclosed
US-9512082-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2016-12-06 US disclosed
US-9512082-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2016-12-06 US disclosed
US-9512082-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2016-12-06 US disclosed
CN-105377939-A Epoxy resin composition for fiber matrix semi-finished products BASF SE 2016-03-02 CN disclosed
EP-2146968-B1 UREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2015-09-23 EP disclosed
EP-0230035-A2 Omega-[(hetero)alkyl]benz[cd]indol-2-amines AMERICAN CYANAMID COMPANY (US) 1987-07-29 EP disclosed
US-4619941-A N-[(1H-imidazol-1-yl)alkyl]-1H-indolecarboxamides useful as thromboxane synthetase inhibitors and antihypertensive agents AMERICAN CYANAMID COMPANY (US) 1986-10-28 US disclosed
EP-0188999-A1 Cationic reaction products from 1-aminoalkyl imidazole compounds and epihalogen hydrins CIBA-GEIGY AG (CH) 1986-07-30 EP disclosed
US-4576957-A HYPOTENSIVE AMERICAN CYANAMID COMPANY (US) 1986-03-18 US disclosed
US-4568687-A THROMBOXANE SYNTHETASE TNZYME INHIBITORS; HYPOTENSIVE AGENTS, CARDIOTONIC AGENTS AMERICAN CYANAMID COMPANY (US) 1986-02-04 US disclosed
US-4555519-A Thromboxane synthetase enzyme inhibiting N-[(1H-imidazol-1-yl) and (1H-1,2,4-triazol-1-yl)alkyl]pyridinecarboxamides AMERICAN CYANAMID COMPANY (US) 1985-11-26 US disclosed
US-4507315-A Hypoglycaemic and hypolipidaemic benzamide substituted (1H-) imidazole derivatives and compositions MAY & BAKER LIMITED (GB) 1985-03-26 US disclosed
EP-0117462-A2 N-(2-4-(1H-imidazol-1-yl)alkyl)arylamides AMERICAN CYANAMID COMPANY (US) 1984-09-05 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 (2 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-20110028506-A1 Pharmaceutical Composition For Preventintion And Treatment Of Restenosis Comprising Isoxazole Derivatives PTGIR, GPR119, PTGIS QPCT 2502/4885ALPL 650/4885PLAA 3430/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 QPCT 4052/4885ALPL 34/4885PLAA 2054/4885

“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.