SCHEMBL3632795

SCHEMBL3632795

C1=Cc2ccccc2NC=N1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PLAU P00749 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
GRK6 P43250 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
Hydrochloric Acid SCHEMBL10587181 0.96 GAA (0.41) GAAMAPTPLAUCA12CA1
Nitric Acid SCHEMBL27678209 0.86 MAPT (0.34) GAAMAPTCA12CA1CA2
SCHEMBL10612156 0.86 GAA (0.34) GAAMAPTPLAU
SCHEMBL28067348 0.86 GAA (0.34) GAAMAPTPLAU
Cyclopentanol SCHEMBL27502970 0.83 GAA (0.32) GAAMAPTPLAU
SCHEMBL4125447 0.77 PLAU (0.39) GAAMAPTPLAUCA12CA1
SCHEMBL30046094 0.74 GAA (0.30) GAAMAPT
SCHEMBL5612975 0.71 GAA (0.41) GAAMAPTPLAUCA12CA1
SCHEMBL30047108 0.69 AXL (0.31) CA12CA1CA2CA9
SCHEMBL452418 0.68 GAA (0.48) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116574103-A Imidazo [1,2-a ] pyridine fused 1, 3-benzodiazepine derivative and synthesis method thereof 湖北科技学院 2023-08-11 CN claimed
CN-112174901-B Synthesis method and anticancer activity of 1, 3-benzodiazepine compound 河南师范大学 2022-02-08 CN claimed
CN-112174901-A Synthesis method and anticancer activity of 1, 3-benzodiazepine compound 河南师范大学 2021-01-05 CN claimed
CN-105467468-B A kind of tracer detected for underground hydrological and its preparation method and application 徐州工程学院 2017-10-27 CN claimed
CN-105802485-A Antibacterial type environment-friendly paint and preparation method thereof 苏州圣谱拉新材料科技有限公司 2016-07-27 CN claimed
US-8492538-B1 Cyclodextrin derivative salts MATOS JOSE R (US) 2013-07-23 US claimed
US-7728007-B2 Therapeutic amides WAYNE STATE UNIVERSITY (US) 2010-06-01 US claimed
US-7585863-B2 Antitumor agents; such as (2-(4-(7-Chloro-2-quinoxalinyl)oxy)propionylamino ethansulfonic acid; {2-{4-(7-Chloro-quinoxalin-2-yloxy)-phenoxy}propionyl amino}acetic acid WAYNE STATE UNIVERSITY (US) 2009-09-08 US claimed
US-20090076073-A1 THERAPEUTIC AMIDES WAYNE STATE UNIVERSITY 2009-03-19 US claimed
EP-1390340-A4 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2007-07-25 EP claimed
EP-1539699-A1 4- 7'-HALO-2-QUINO (XA-) LINYLOXY!PHENOXY-PROPIONIC ACID DERIVATIVES AS ANTINEOPLASTIC AGENTS WAYNE STATE UNIVERSITY (US) 2005-06-15 EP claimed
US-6867298-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2005-03-15 US claimed
CN-1543333-A Two-part aqueous composition for the oxidation dyeing of hair P&G 2004-11-03 CN claimed
US-20040132618-A1 Therapeutic amides NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2004-07-08 US claimed
EP-1390340-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-25 EP claimed
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US claimed
WO-2004004651-A2 THERAPEUTIC AMIDES WAYNE STATE UNIVERSITY (US) 2004-01-15 WO claimed
WO-2004005260-A1 A-`7-HALO-2-QUINO (XA-) LINYLOXY!PHENOXY-PROPIONIC ACID DERIVATIVES AS ANTINEOPLASTIC AGENTS WAYNE STATE UNIVERSITY (US) 2004-01-15 WO claimed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 US claimed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 GAA 2880/4885MAPT 2654/4885PLAU 4540/4885
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 GAA 2880/4885MAPT 2654/4885PLAU 4540/4885
US-20040132618-A1 Therapeutic amides HDAC5, HDAC6, ASAH2 GAA 388/4885MAPT 3239/4885PLAU 2246/4885
US-20090076073-A1 THERAPEUTIC AMIDES HDAC5, HDAC6, ASAH2 GAA 417/4885MAPT 3590/4885PLAU 2189/4885

“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.