SCHEMBL744579

SCHEMBL744579

COc1[c]c(OC)ncc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
MAOA P21397 1/20 0.33
DYRK1A Q13627 1/20 0.32
LOX P28300 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31

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
SCHEMBL2265942 0.84 HPGD (0.34) NOS3NOS1NOS2CCR1CCR5
SCHEMBL2265945 0.84 HPGD (0.34) NOS3NOS1NOS2CCR1CCR5
SCHEMBL4890090 0.82 NOS3 (0.32) NOS3NOS1NOS2CCR1CCR5
SCHEMBL4918786 0.77
SCHEMBL4918466 0.77
SCHEMBL4926894 0.76
SCHEMBL4930687 0.76
SCHEMBL1967214 0.76
SCHEMBL4919014 0.76
SCHEMBL4882708 0.72 NOS3 (0.34) NOS3NOS1NOS2CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111566109-B 2,4,6, 7-tetrahydropyrazolo [4,3-d ] pyrimidin-5-one derivatives and related compounds for the treatment of vasculitis and inflammatory diseases 爱杜西亚药品有限公司 2023-07-11 CN claimed
US-20230192708-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2023-06-22 US claimed
US-20200369672-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES IDORSIA PHARMACEUTICALS LTD. (CH) 2020-11-26 US claimed
EP-3737684-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES Idorsia Pharmaceuticals Ltd (CH) 2020-11-18 EP claimed
CN-111566109-A 2,4,6, 7-tetrahydropyrazolo [4,3-d ] pyrimidin-5-one derivatives and related compounds as C5a receptor modulators for the treatment of vasculitis and inflammatory diseases 爱杜西亚药品有限公司 2020-08-21 CN claimed
EP-3217982-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2017-09-20 EP claimed
WO-2016075137-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2016-05-19 WO claimed
EP-1648426-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2014-01-08 EP claimed
JP-4833059-B2 2011-12-07 JP claimed
US-7977477-B2 Benzimidazole derivatives and their use as protein kinase inhibitors ASTEX THERAPEUTICS, LIMITED (GB) 2011-07-12 US claimed
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-12-18 US claimed
EP-1836199-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-26 EP claimed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US claimed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO claimed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP claimed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO claimed
US-11739070-B2 C5A receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-08-29 US disclosed
CN-111566109-B 2,4,6, 7-tetrahydropyrazolo [4,3-d ] pyrimidin-5-one derivatives and related compounds for the treatment of vasculitis and inflammatory diseases 爱杜西亚药品有限公司 2023-07-11 CN disclosed
US-6180792-B1 DRUGS, ANTISECRETORY AGENTS AND HORMONE INHIBITORS FOR LH-RH TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-30 US disclosed
US-6107294-A NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 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-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases CDK1, CDK8, CDK2 NOS3 1635/4885NOS1 2210/4885NOS2 2136/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 NOS3 4086/4885NOS1 3551/4885NOS2 3906/4885
US-20200369672-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES C3AR1, C5AR1, C5AR2 NOS3 1274/4885NOS1 1493/4885NOS2 1623/4885
US-20230192708-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES C3AR1, C5AR1, C5AR2 NOS3 1274/4885NOS1 1493/4885NOS2 1623/4885
US-11739070-B2 C5A receptor modulators C5AR1, C3AR1, C5AR2 NOS3 2390/4885NOS1 2438/4885NOS2 2971/4885

“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.