SCHEMBL57318

SCHEMBL57318

c1ccc(-c2cccnc2-c2ccccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
TGFBR1 P36897 3/20 0.50
LMNA P02545 3/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
CYP2A6 P11509 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
NPY5R Q15761 1/20 0.47
TGFBR2 P37173 1/20 0.47
HTT P42858 3/20 0.46
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL27504571 0.98 PTGS1 (0.49) KDM4ETGFBR1LMNACCR1CCR5
SCHEMBL923479 0.96 PTGS1 (0.47) KDM4ETGFBR1LMNACCR1CCR5
SCHEMBL27509616 0.93 PTGS1 (0.45) KDM4ETGFBR1LMNACCR1CCR5
SCHEMBL29394715 0.93 PTGS1 (0.45) KDM4ETGFBR1LMNACCR1CCR5
Biphenyl SCHEMBL1363812 0.90 CYP2A6 (0.48) KDM4ETGFBR1LMNACCR1CCR5
SCHEMBL28477765 0.89 ADORA2A (0.49) KDM4ETGFBR1LMNACCR1CCR5
SCHEMBL28098703 0.88 PTGS1 (0.46) KDM4ETGFBR1LMNACCR1CCR5
SCHEMBL1368863 0.88 KDM4E (0.60) KDM4ETGFBR1LMNACCR1CCR5
Benzene SCHEMBL28442295 0.88 KDM4E (0.54) KDM4ETGFBR1LMNACCR1CCR5
SCHEMBL28679939 0.85 CYP2A6 (0.68) KDM4ETGFBR1LMNACCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115819413-A Carbazole-based small-molecule compound, method and organic all-optical synapse based on illumination history-dependent fluorescence intensity mechanism 中国科学院大学 2023-03-21 CN claimed
US-20110155238-A1 PYRIDINE TYPE METAL COMPLEX, PHOTOELECTRODE COMPRISING THE METAL COMPLEX, AND DYE-SENSITIZED SOLAR CELL COMPRISING THE PHOTOELECTRODE SHARP KABUSHIKI KAISHA (JP) 2011-06-30 US claimed
CN-102015908-A Pyridine-type metal complex, photoelectrode comprising the metal complex, and dye-sensitized solar cell comprising the photoelectrode SHARP KK 2011-04-13 CN claimed
EP-2275494-A1 PYRIDINE-TYPE METAL COMPLEX, PHOTOELECTRODE COMPRISING THE METAL COMPLEX, AND DYE-SENSITIZED SOLAR CELL COMPRISING THE PHOTOELECTRODE Sharp Kabushiki Kaisha (JP) 2011-01-19 EP claimed
EP-1781676-A1 MEDIATOR-MODIFIED REDOX BIOMOLECULES FOR USE IN ELECTROCHEMICAL DETERMINATION OF ANALYTE Agency for Science, Technology and Research (SG) 2007-05-09 EP claimed
WO-2006011853-A1 MEDIATOR-MODIFIED REDOX BIOMOLECULES FOR USE IN ELECTROCHEMICAL DETERMINATION OF ANALYTE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-02-02 WO claimed
CN-122010929-A Lactam structure CDK inhibitor compound 杭州阿诺生物医药科技有限公司 2026-05-12 CN disclosed
WO-2025228800-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2025-11-06 WO disclosed
CN-120424047-A Phenyl bipyridine derivatives, and preparation and application thereof 厦门大学 2025-08-05 CN disclosed
WO-2025125167-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2025-06-19 WO disclosed
CN-116964053-B Wnt pathway inhibitor compound 杭州阿诺生物医药科技有限公司 2025-04-11 CN disclosed
CN-116848115-B Wnt pathway inhibitor compounds 杭州阿诺生物医药科技有限公司 2025-04-11 CN disclosed
CN-119278199-A Kinesin KIF18A inhibitor and application thereof 上海湃隆生物科技有限公司 2025-01-07 CN disclosed
US-20060105202-A1 Organic electroluminescent device FUJI PHOTO FILM CO., LTD. 2006-05-18 US disclosed
EP-1297060-A4 POLYMER MATRIX ELECTROLUMINESCENT MATERIALS AND DEVICES MAXDEM INC (US) 2005-04-20 EP disclosed
US-20040131886-A1 Polymer matrix electroluminescent materials and devices MAXDEM INCORPORATED 2004-07-08 US disclosed
EP-1297060-A1 POLYMER MATRIX ELECTROLUMINESCENT MATERIALS AND DEVICES MAXDEM INCORPORATED (US) 2003-04-02 EP disclosed
US-20020028347-A1 Polymer matrix electroluminescent materials and devices IPCO, LLC 2002-03-07 US disclosed
WO-2001096454-A1 POLYMER MATRIX ELECTROLUMINESCENT MATERIALS AND DEVICES MAXDEM INCORPORATED (US) 2001-12-20 WO disclosed
US-4169951-A PROCESS FOR THE PRODUCTION OF SUBSTITUTED PYRIDINE (B) DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1979-10-02 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 (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-20110155238-A1 PYRIDINE TYPE METAL COMPLEX, PHOTOELECTRODE COMPRISING THE METAL COMPLEX, AND DYE-SENSITIZED SOLAR CELL COMPRISING THE PHOTOELECTRODE CD4, AP1M1, CRY1 KDM4E 481/4885TGFBR1 4474/4885LMNA 3345/4885

“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.