SCHEMBL4778458

SCHEMBL4778458

c1ccc2nc3[nH]ccc3cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HPGD P15428 4/20 0.56
GLA P06280 3/20 0.56
MAPT P10636 2/20 0.56
ACHE P22303 1/20 0.56
AXL P30530 2/20 0.46
PDE2A O00408 2/20 0.46
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
CDK8 P49336 1/20 0.46
NUDT1 P36639 1/20 0.45
HTR3A P46098 1/20 0.42
TRPA1 O75762 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41

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
Acridine SCHEMBL5315297 0.78 AHR (0.68) ALDH1A1HPGDGLAMAPTACHE
Acridine SCHEMBL3045498 0.74 ALDH1A1 (1.00) ALDH1A1HPGDGLAMAPTACHE
Acridine SCHEMBL29352289 0.74 ALDH1A1 (1.00) ALDH1A1HPGDGLAMAPTACHE
Acridine SCHEMBL1772714 0.74 ALDH1A1 (1.00) ALDH1A1HPGDGLAMAPTACHE
Acridine SCHEMBL8339 0.74 ALDH1A1 (1.00) ALDH1A1HPGDGLAMAPTACHE
Acridine SCHEMBL4972293 0.74 ALDH1A1 (1.00) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL22717041 0.73 AXL (0.34) AXLCDK8NUDT1PIK3CDPIK3CA
SCHEMBL17897155 0.72 APP (0.49) AXLCDK8TRPA1CA1CA2
Acridine SCHEMBL30991444 0.72 ALDH1A1 (0.52) ALDH1A1HPGDGLAMAPTACHE
Acridine SCHEMBL30991443 0.72 ALDH1A1 (0.52) ALDH1A1HPGDGLAMAPTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106999495-A Combination of TLR inhibitor and bruton's tyrosine kinase inhibitor 药品循环有限责任公司 2017-08-01 CN claimed
US-11731970-B1 Pyrrolo[2,3-b]quinoline compounds as antibacterial agents King Faisal University (SA) 2023-08-22 US disclosed
US-11731970-B1 Pyrrolo[2,3-b]quinoline compounds as antibacterial agents King Faisal University (SA) 2023-08-22 US disclosed
US-11731970-B1 Pyrrolo[2,3-b]quinoline compounds as antibacterial agents King Faisal University (SA) 2023-08-22 US disclosed
CN-106999495-A Combination of TLR inhibitor and bruton's tyrosine kinase inhibitor 药品循环有限责任公司 2017-08-01 CN disclosed
WO-2008014249-A2 IMPROVED PREPARATIONS OF 2 -SUBSTITUTED PYRROLO [2, 3-B] PYRAZINE ( 4, 7 -DIAZAINDOLE ) COMPOUNDS SANOFI-AVENTIS (FR) 2008-01-31 WO disclosed
US-6815442-B2 A PHENOXY-ALKYL-QUINOXALINONE DERIVATIVES FOR INHIBITING DRUG TRANSPORT PROTEINS THAT EFFLUX THERAPEUTIC AGENTS FROM CELLS; SYNERGISTIC THE PENN STATE RESEARCH FOUNDATION 2004-11-09 US disclosed
US-6693112-B2 FOR INHIBITING DRUG TRANSPORT FROM TARGET CELLS OR TISSUES IN AN ANIMAL UNDERGOING CHEMOTHERAPY; FOR PREVENTING DRUG RESISTANCE THE PENNSYLVANIA STATE UNIVERSITY 2004-02-17 US disclosed
US-20030203910-A1 Novel compounds for enhancing chemotherapy NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-30 US disclosed
US-20030105122-A1 Compounds for enhancing chemotherapy THE PENN STATE RESEARCH FOUNDATION. 2003-06-05 US disclosed
US-6537993-B2 Compounds for enhancing chemotherapy PENN STATE RESEARCH FOUNDATION 2003-03-25 US disclosed
EP-1272479-A2 NOVEL COMPOUNDS FOR ENHANCING CHEMOTHERAPY THE PENN STATE RESEARCH FOUNDATION (US) 2003-01-08 EP disclosed
US-20020013322-A1 Novel compounds for enhancing chemotherapy NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-01-31 US disclosed
WO-2001074790-A2 NOVEL COMPOUNDS FOR ENHANCING CHEMOTHERAPY THE PENN STATE RESEARCH FOUNDATION (US) 2001-10-11 WO disclosed
EP-0585913-B1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-12-29 EP disclosed
US-5482967-A LOWERING CHOLESTEROL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-09 US disclosed
CN-1090274-A Condensed heterocyclic compounds and its preparation method and application TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-08-03 CN disclosed
EP-0585913-A2 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-09 EP 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 (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-20030203910-A1 Novel compounds for enhancing chemotherapy ABCB1, ABCB11, ABCC1 ALDH1A1 2236/4885HPGD 2330/4885GLA 4797/4885
US-11731970-B1 Pyrrolo[2,3-b]quinoline compounds as antibacterial agents POLB, TOP2A, POLR2B ALDH1A1 3817/4885HPGD 966/4885GLA 753/4885
US-20020013322-A1 Novel compounds for enhancing chemotherapy ABCB1, ABCB11, ABCC1 ALDH1A1 2236/4885HPGD 2330/4885GLA 4797/4885
US-20030105122-A1 Compounds for enhancing chemotherapy NQO2, MCL1, ABCB1 ALDH1A1 555/4885HPGD 682/4885GLA 3873/4885

“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.