SCHEMBL421641

SCHEMBL421641

c1ccc2c(c1)Nc1cccc3nccc-2c13

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.54
JAK2 O60674 14/20 0.42
CYP1A2 P05177 1/20 0.40
MDM2 Q00987 1/20 0.38
PDGFRA P16234 1/20 0.37
FER P16591 1/20 0.37
LTK P29376 1/20 0.37
CDK8 P49336 1/20 0.37
ACVR1 Q04771 1/20 0.37
LRRK2 Q5S007 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
KIT P10721 1/20 0.37
JAK3 P52333 1/20 0.37
MAP4K2 Q12851 1/20 0.37
ALK Q9UM73 1/20 0.37
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL25302389 0.79 CYP1A2 (0.45) AHRCYP1A2PDGFRAFERLTK
SCHEMBL732391 0.78 ALDH1A1 (0.44) AHRJAK2CYP1A2ACVR1GSK3B
SCHEMBL29610334 0.75 PARP1 (0.46) CYP1A2PDGFRAFERLTKCDK8
SCHEMBL18624461 0.74 AHR (0.41) AHRJAK2PDGFRAFERLTK
SCHEMBL18624248 0.74 JAK2 (0.40) AHRJAK2CYP1A2PDGFRAFER
SCHEMBL18624250 0.74 AHR (0.49) AHRJAK2CYP1A2PDGFRAFER
SCHEMBL5044997 0.73 AHR (0.49) AHRJAK2MDM2ACVR1LRRK2
SCHEMBL22335167 0.73 PDPK1 (0.41) AHRCYP1A2CDK5CDK5R1MAPT
SCHEMBL17402501 0.72 ALDH1A1 (0.54) AHRPDGFRAFERLTKCDK8
SCHEMBL9386045 0.71 AHR (0.47) AHRJAK2MDM2PDGFRAFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994003433-A1 BIOLOGICAL APPLICATIONS OF ALKALOIDS DERIVED FROM THE TUNICATE EUDISTOMA sp. THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1994-02-17 WO claimed
EP-3573985-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-01-18 EP disclosed
WO-2018138306-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-08-02 WO disclosed
EP-1330456-B8 N8,N13 -DISUBSTITUTED QUINO[4,3,2-KL]ACRIDINIUM SALTS AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2012-02-08 EP disclosed
EP-1330456-B9 N8,N13 -DISUBSTITUTED QUINO[4,3,2-KL]ACRIDINIUM SALTS AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2012-01-25 EP disclosed
EP-1330456-B1 N8,N13 -DISUBSTITUTED QUINO[4,3,2-KL]ACRIDINIUM SALTS AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2011-06-15 EP disclosed
EP-1663239-A4 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS SINAI MEDICAL CENTER (US) 2008-07-23 EP disclosed
US-7115619-B2 N8, N13 -disubstituted quino[4,3,2-kl]acridinium salts as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-10-03 US disclosed
EP-1663239-A2 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS-SINAI MEDICAL CENTER (US) 2006-06-07 EP disclosed
US-20050089473-A1 Potassium channel mediated delivery of agents through the blood-brain barrier CEDARS-SINAI MEDICAL CENTER 2005-04-28 US disclosed
US-6525063-B2 3,7-dimethyl-1,5-diazaanthraquinone for example UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2003-02-25 US disclosed
US-20020128281-A1 Cytotoxic compounds: derivatives of the pyrido [2,3,4-kl]acridine ring system UNIVERSIDAD COMPLUTENSE DE MADRID 2002-09-12 US disclosed
US-20020099066-A1 Antitumour 1,5-diazaanthraquinones UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2002-07-25 US disclosed
WO-2002030932-A2 N8,N13-DISUBSTITUTED QUINO[4,3,2-KL]ACRIDINIUM SALTS AS THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-04-18 WO disclosed
US-5432172-A Biological applications of alkaloids derived from the tunicate Eudistoma sp. THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-07-11 US disclosed
US-5432172-A Biological applications of alkaloids derived from the tunicate Eudistoma sp. THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-07-11 US disclosed
WO-1994003433-A1 BIOLOGICAL APPLICATIONS OF ALKALOIDS DERIVED FROM THE TUNICATE EUDISTOMA sp. THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1994-02-17 WO disclosed
WO-1994003433-A1 BIOLOGICAL APPLICATIONS OF ALKALOIDS DERIVED FROM THE TUNICATE EUDISTOMA sp. THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1994-02-17 WO disclosed
US-5278168-A Biological applications of alkaloids derived from the tunicate Eudistoma sp. THE RESEARCH FOUNDATION OF STATE UNIVERISTY OF NEW YORK (US) 1994-01-11 US disclosed
US-5278168-A Biological applications of alkaloids derived from the tunicate Eudistoma sp. THE RESEARCH FOUNDATION OF STATE UNIVERISTY OF NEW YORK (US) 1994-01-11 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 (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-20050089473-A1 Potassium channel mediated delivery of agents through the blood-brain barrier KCNN2, KCNN1, KCNN3 AHR 3307/4885JAK2 854/4885CYP1A2 4314/4885
US-20020099066-A1 Antitumour 1,5-diazaanthraquinones PRMT7, TPD52L2, DRD4 AHR 427/4885JAK2 1761/4885CYP1A2 2967/4885
US-20020128281-A1 Cytotoxic compounds: derivatives of the pyrido [2,3,4-kl]acridine ring system CASP3, NR4A1, CASP4 AHR 128/4885JAK2 4443/4885CYP1A2 399/4885

“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.