SCHEMBL5797779

SCHEMBL5797779

C#CCOc1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.52
CA1 P00915 3/20 0.52
CA12 O43570 3/20 0.52
CA4 P22748 3/20 0.52
CA2 P00918 2/20 0.52
GSTP1 P09211 1/20 0.52
CA7 P43166 1/20 0.52
MAOB P27338 5/20 0.50
MAOA P21397 4/20 0.47
ACHE P22303 1/20 0.47
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MMP2 P08253 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
PTGS2 P35354 1/20 0.41
CYP2A6 P11509 1/20 0.40

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
SCHEMBL20305297 0.86 ALDH1A1 (0.54) CA9CA1CA12CA4CA2
SCHEMBL5704167 0.86 CA12 (0.63) CA9CA1CA12CA4CA2
SCHEMBL8034410 0.86 MAOB (0.46) CA9CA1CA12CA4CA2
Hydrochloric Acid SCHEMBL21694040 0.84 CA12 (0.61) CA9CA1CA12CA4CA2
SCHEMBL6574222 0.82 MAOB (0.53) CA9CA1CA12CA2MAOB
SCHEMBL9155218 0.79 GSTP1 (0.68) CA9CA1CA12CA4CA2
SCHEMBL15800551 0.79 CA12 (0.57) CA9CA1CA12CA4CA2
SCHEMBL31725708 0.79 MAOB (0.49) CA9CA1CA12CA4CA2
SCHEMBL5981836 0.79 MAOB (0.49) CA9CA1CA12CA4CA2
SCHEMBL14922474 0.78 MAOB (0.50) CA9CA1CA12CA2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220117231-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2022-04-21 US disclosed
US-10889546-B2 Alkynyl pyridine prolyl hydroxylase inhibitor, and preparation method and medical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-01-12 US disclosed
US-20200407319-A1 ALKYNYL PYRIDINE PROLYL HYDROXYLASE INHIBITOR, AND PREPARATION METHOD AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. 2020-12-31 US disclosed
CN-107848976-B Alkynyl pyridine prolyl hydroxylase inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2020-11-17 CN disclosed
EP-3360862-B1 ALKYNYL PYRIDINE PROLYL HYDROXYLASE INHIBITOR, AND PREPARATION METHOD AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2020-04-22 EP disclosed
CN-109336829-A Aryl methanamide compounds of the triazole structure containing 1,2,3- and application thereof 沈阳药科大学 2019-02-15 CN disclosed
US-20180305317-A1 ALKYNYL PYRIDINE PROLYL HYDROXYLASE INHIBITOR, AND PREPARATION METHOD AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-10-25 US disclosed
US-9968092-B2 Combination of novel nitrification inhibitors and biopesticides as well as combination of (thio)phosphoric acid triamides and biopesticides BASF SE (DE) 2018-05-15 US disclosed
US-9968092-B2 Combination of novel nitrification inhibitors and biopesticides as well as combination of (thio)phosphoric acid triamides and biopesticides BASF SE (DE) 2018-05-15 US disclosed
CN-107459491-A Benzamide compound containing 1,2,3 triazole structures and application thereof 沈阳药科大学 2017-12-12 CN disclosed
EP-1569644-A4 INDOLIZINE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 EP disclosed
EP-1569644-A2 INDOLIZINE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2005-09-07 EP disclosed
WO-2004054507-A2 INDOLIZINE COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2004-07-01 WO disclosed
US-20030204090-A1 Indolizine compounds SYNTA PHARMACEUTICALS CORP. 2003-10-30 US disclosed
EP-1192170-B1 PROPARGYL PHENYL ETHER A2A RECEPTOR AGONISTS CV THERAPEUTICS INC (US) 2003-05-14 EP disclosed
EP-1192170-A1 PROPARGYL PHENYL ETHER A2A RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2002-04-03 EP disclosed
US-6180615-B1 STIMULATE MAMMALIAN CORONARY VASODILATATION FOR THERAPEUTIC PURPOSES AND FOR PURPOSES OF IMAGING THE HEART CV THERAPEUTICS, INC. 2001-01-30 US disclosed
WO-2000078777-A1 PROPARGYL PHENYL ETHER A2A RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2000-12-28 WO disclosed
WO-2000078724-A2 IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
US-4867915-A LIPOXYGENASE INHIBITORS, ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1989-09-19 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 (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-20180305317-A1 ALKYNYL PYRIDINE PROLYL HYDROXYLASE INHIBITOR, AND PREPARATION METHOD AND MEDICAL USE THEREOF EGLN3, EGLN2, EPOR CA9 2073/4885CA1 2847/4885CA12 4360/4885
US-20220117231-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides NMT2, NAPRT, NAMPT CA9 894/4885CA1 782/4885CA12 1592/4885
US-10889546-B2 Alkynyl pyridine prolyl hydroxylase inhibitor, and preparation method and medical use thereof EGLN3, EGLN2, EPOR CA9 2073/4885CA1 2847/4885CA12 4360/4885
US-20200407319-A1 ALKYNYL PYRIDINE PROLYL HYDROXYLASE INHIBITOR, AND PREPARATION METHOD AND MEDICAL USE THEREOF EGLN3, EGLN2, EPOR CA9 2073/4885CA1 2847/4885CA12 4360/4885
US-20030204090-A1 Indolizine compounds IDO1, IDO2, PDE4A CA9 703/4885CA1 1254/4885CA12 2197/4885

“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.