SCHEMBL6129289

SCHEMBL6129289

CCCCCc1ccc2cccnc2n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.55
SUCNR1 Q9BXA5 14/20 0.49
PDE10A Q9Y233 2/20 0.46
OXGR1 Q96P68 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL12895009 0.87 PDE10A (0.49) SUCNR1PDE10AOXGR1TDP1ALDH1A1
SCHEMBL20517681 0.85 SUCNR1 (0.49) SUCNR1PDE10AOXGR1
SCHEMBL9528545 0.83 PDE10A (0.58) KCNH2PDE10ATDP1L3MBTL1ALDH1A1
SCHEMBL30930276 0.83 SUCNR1 (0.50) SUCNR1PDE10AOXGR1
SCHEMBL6899530 0.83 SUCNR1 (0.47) SUCNR1PDE10AOXGR1ALDH1A1
SCHEMBL276117 0.83 SUCNR1 (0.50) SUCNR1PDE10AOXGR1ALDH1A1
SCHEMBL10480813 0.82 PDE10A (0.57) KCNH2PDE10ATDP1L3MBTL1
SCHEMBL31026567 0.82 PDE10A (0.57) KCNH2PDE10ATDP1L3MBTL1
SCHEMBL20481012 0.82 SUCNR1 (0.47) SUCNR1PDE10AOXGR1ALDH1A1
SCHEMBL28813000 0.82 PDE10A (0.57) KCNH2PDE10ATDP1L3MBTL1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160567-B Polyimide containing carbon chain naphthyridine ketone structure and preparation method thereof 大连理工大学 2024-04-26 CN disclosed
CN-107949562-A The positive allosteric modulators of muscarinic M2 acceptors 拜耳制药股份公司 2018-04-20 CN disclosed
US-20050065213-A1 Combretastatin a-4 derivatives having antineoplastic activity LAWRENCE NICHOLAS JAMES (GB) 2005-03-24 US disclosed
EP-1444190-A1 COMBRETASTATIN A-4 DERIVATIVES HAVING ANTINEOPLASTIC ACTIVITY Cancer Research Technology Limited (GB) 2004-08-11 EP disclosed
WO-2003040077-A1 COMBRETASTATIN A-4 DERIVATIVES HAVING ANTINEOPLASTIC ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-05-15 WO disclosed
US-6229016-B1 PYRIDOPYRIMIDINE DERIVATIVES AS CHEMICAL INTERMEDIATES; POLYMERIZATION INHIBITION OF TUBULIN THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2001-05-08 US disclosed
US-6071930-A FOR INHIBITION OF MITOSIS OR TUMOR GROWTH THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-06-06 US disclosed
EP-0971921-A1 2-ARYL-NAPHTHYRIDIN-4-ONES AS ANTITUMOR AGENTS The University of North Carolina at Chapel Hill (US) 2000-01-19 EP disclosed
US-5994367-A PREVENT CELL MITOSIS; ANTICARCINOGENIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-11-30 US disclosed
WO-1998039332-A1 2-ARYL-NAPHTHYRIDIN-4-ONES AS ANTITUMOR AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-09-11 WO 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 (1 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-20050065213-A1 Combretastatin a-4 derivatives having antineoplastic activity AURKA, AURKB, HDAC4 KCNH2 2559/4885SUCNR1 1721/4885PDE10A 3681/4885

“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.