SCHEMBL1727666

SCHEMBL1727666

c1ccc2c(c1)ncc1c[nH]nc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
GPR3 P46089 1/20 0.52
ADORA3 P0DMS8 1/20 0.45
TOP2A P11388 1/20 0.41
PDPK1 O15530 1/20 0.41
TLR7 Q9NYK1 2/20 0.40
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
DUSP10 Q9Y6W6 1/20 0.37
CYP1A2 P05177 1/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 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
SCHEMBL30951595 1.00 KDM4E (0.52) KDM4EGPR3ADORA3TOP2APDPK1
SCHEMBL16114858 0.79 EGFR (0.37) KDM4EGPR3ADORA3
SCHEMBL5741090 0.78 KDM4E (0.52) KDM4EGPR3ADORA3TOP2APDPK1
SCHEMBL30549447 0.77 PARP1 (0.42) KDM4EGPR3PDPK1CYP1A2
SCHEMBL4900470 0.76 KDM4E (0.47) KDM4EGPR3PDGFRBPDGFRA
SCHEMBL10667809 0.76 LMNA (0.59) KDM4ECYP1A2
SCHEMBL4932780 0.75 LMNA (0.40) KDM4E
Iodide SCHEMBL10698948 0.75 LMNA (0.58) KDM4ECYP1A2
Bromide SCHEMBL10699147 0.75 LMNA (0.58) KDM4ECYP1A2
SCHEMBL253096 0.73 GPR3 (0.50) KDM4EGPR3TOP2APDPK1PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250082652-A1 SIGNALLING-PATHWAY INHIBITOR COMBINATIONS FOR USE IN THE TREATMENT OF CANCER DISEASES UNIVERSITÄT ZU KÖLN (DE) 2025-03-13 US claimed
US-20250011319-A1 SUBSTITUTED 1H-PYRAZOLO [4,3-c] QUINOLINES, METHODS OF PREPARATION, AND USE THEREOF LOMOND THERAPEUTICS, INC. 2025-01-09 US claimed
EP-4460301-A1 SIGNALLING-PATHWAY INHIBITOR COMBINATIONS FOR USE IN THE TREATMENT OF CANCER DISEASES Universität zu Köln (DE) 2024-11-13 EP claimed
EP-3720493-B1 COMBINATIONS OF RIPK1- AND IKK-INHIBITORS FOR THE PREVENTION OR TREATMENT OF IMMUNE DISEASES UNIV KOELN (DE) 2024-07-24 EP claimed
WO-2023131576-A1 SIGNALLING-PATHWAY INHIBITOR COMBINATIONS FOR USE IN THE TREATMENT OF CANCER DISEASES UNIVERSITÄT ZU KÖLN (DE) 2023-07-13 WO claimed
EP-4209213-A1 SIGNALLING-PATHWAY INHIBITOR COMBINATIONS FOR USE IN THE TREATMENT OF CANCER DISEASES Universität zu Köln (DE) 2023-07-12 EP claimed
EP-2769980-B1 PYRAZOLOQUINOLINE DERIVATIVE AS PDE9 INHIBITORS EISAI R&D MAN CO LTD (JP) 2016-02-03 EP claimed
EP-2769980-A1 PYRAZOLOQUINOLINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2014-08-27 EP claimed
US-20130296352-A1 PYRAZOLOQUINOLINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-11-07 US claimed
US-8563565-B2 Pyrazoloquinoline derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-10-22 US claimed
EP-2178531-A2 METHODS, COMPOSITION, TARGETS FOR COMBINATIONAL CANCER TREATMENTS Yu, Ming (US) 2010-04-28 EP claimed
EP-2038280-A2 FUSED, TRICYCLIC SULFONAMIDE INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals Inc. (US) 2009-03-25 EP claimed
WO-2009006555-A2 METHODS, COMPOSITION, TARGETS FOR COMBINATIONAL CANCER TREATMENTS YU, MING (US) 2009-01-08 WO claimed
EP-1888060-A2 NK-B INHIBITORS FOR THE TREATMENT OF MUSCULAR DYSTROPHY A. T. Still University of Health Sciences (US) 2008-02-20 EP claimed
WO-2007143523-A2 FUSED, TRICYCLIC SULFONAMIDE INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2007-12-13 WO claimed
US-20060280812-A1 Compositions and methods for the treatment of muscular dystrophy A.T. STILL UNIVERSITY OF HEATH SCIENCES 2006-12-14 US claimed
WO-2006127930-A2 NK-B INHIBITORS FOR THE TREATMENT OF MUSCULAR DYSTROPHY A. T. STILL UNIVERSITY OF HEALTH SCIENCES (US) 2006-11-30 WO claimed
US-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-08-05 US claimed
EP-1177797-A9 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 EP claimed
EP-1177797-A1 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-06 EP 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 (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-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist ADORA2A, ADORA1, ADORA2B KDM4E 4617/4885GPR3 584/4885ADORA3 4/4885
US-20250011319-A1 SUBSTITUTED 1H-PYRAZOLO [4,3-c] QUINOLINES, METHODS OF PREPARATION, AND USE THEREOF FLT3, PDXK, PHKG1 KDM4E 2039/4885GPR3 1492/4885ADORA3 3003/4885
US-20130296352-A1 PYRAZOLOQUINOLINE DERIVATIVES PDE2A, PDE3A, PDE3B KDM4E 1309/4885GPR3 270/4885ADORA3 375/4885

“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.