SCHEMBL2458882

SCHEMBL2458882

Clc1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 15/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
ALDH1A1 P00352 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
CLK4 Q9HAZ1 4/20 0.79
EGFR P00533 1/20 0.68
ERBB2 P04626 1/20 0.68

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
SCHEMBL31038289 1.00 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31034788 1.00 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27378658 0.99 PDE5A (0.98) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27357104 0.99 PDE5A (0.98) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL27376208 0.99 PDE5A (0.98) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27355410 0.93 PDE5A (0.86) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7495950 0.91 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7499068 0.87 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13192079 0.86 PDE5A (0.76) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13191863 0.86 PDE5A (0.76) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080193385-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY MAIBACH TODD 2008-08-14 US claimed
US-20060276440-A1 Treatment of inflammatory disorders BIONAUT PHARMACEUTICALS, INC. 2006-12-07 US claimed
WO-2006074192-A2 TREATMENT OF INFLAMMATORY DISORDERS BIONAUT PHARMACEUTICALS, INC. (US) 2006-07-13 WO claimed
US-6586478-B2 Administering nitrogen oxide mimetic CELLEGY CANADA (CA) 2003-07-01 US claimed
US-20020006930-A1 Method for stimulating liver regeneration UNIVERISTY OF MANITOBA (CA) 2002-01-17 US claimed
WO-2024136338-A1 COMPOSITION COMPRISING N-BENZYLQUINAZOLINE-4-AMINE COMPOUND FOR PREVENTING OR TREATING OBESITY OR LIPID-ASSOCIATED METABOLIC DISORDERS 연세대학교 산학협력단 2024-06-27 WO disclosed
US-9393244-B2 Increasing parkin activity by administering a deubiquitinating enzyme inhibitor GEORGETOWN UNIVERSITY (US) 2016-07-19 US disclosed
US-9393244-B2 Increasing parkin activity by administering a deubiquitinating enzyme inhibitor GEORGETOWN UNIVERSITY (US) 2016-07-19 US disclosed
US-20140271668-A1 INCREASING PARKIN ACTIVITY BY ADMINISTERING A DEUBIQUITINATING ENZYME INHIBITOR GEORGETOWN UNIVERSITY (US) 2014-09-18 US disclosed
US-20140271668-A1 INCREASING PARKIN ACTIVITY BY ADMINISTERING A DEUBIQUITINATING ENZYME INHIBITOR GEORGETOWN UNIVERSITY (US) 2014-09-18 US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (CN) 2012-10-11 US disclosed
US-20020006930-A1 Method for stimulating liver regeneration UNIVERISTY OF MANITOBA (CA) 2002-01-17 US disclosed
EP-0607439-B1 NITROGENOUS HETEROCYCLIC COMPOUND EISAI CO LTD (JP) 2002-01-09 EP disclosed
US-6046206-A Method of treating a patient having a precancerous lesions with amide quinazoline derivatives CELL PATHWAYS, INC. (US) 2000-04-04 US disclosed
US-5801180-A ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS EISAI CO., LTD. (JP) 1998-09-01 US disclosed
US-5693652-A Benzimidazoles for ischemic heart conditions EISAI CO., LTD. (JP) 1997-12-02 US disclosed
US-5576322-A Anti-ischemic 2,4-diaminoquinazolines EISAI CO., LTD. (JP) 1996-11-19 US disclosed
EP-0607439-A1 NITROGENOUS HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 1994-07-27 EP disclosed
CN-1071164-A Nitrogen-containing heterocycle compound EISAI CO LTD (JP) 1993-04-21 CN 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 (3 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-20060276440-A1 Treatment of inflammatory disorders NR3C1, OXGR1, IRAK2 PDE5A 4471/4885MEN1 4711/4885KMT2A 3138/4885
US-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof ATG7, BECN1, SQSTM1 PDE5A 3288/4885MEN1 2998/4885KMT2A 4516/4885
US-20140271668-A1 INCREASING PARKIN ACTIVITY BY ADMINISTERING A DEUBIQUITINATING ENZYME INHIBITOR UBQLN1, UBQLN2, PARK7 PDE5A 2136/4885MEN1 3512/4885KMT2A 1790/4885

“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.