SCHEMBL645854

SCHEMBL645854

COC(=O)c1cccnc1-c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
AXL P30530 1/20 0.50
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 6/20 0.49
POLB P06746 2/20 0.49
ATM Q13315 1/20 0.49
MAP2K1 Q02750 1/20 0.48
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 3/20 0.46
CFTR P13569 1/20 0.46
ALOX15 P16050 1/20 0.46
GRM5 P41594 1/20 0.46
MAPK10 P53779 1/20 0.45
GABRG2 P18507 1/20 0.44

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
SCHEMBL29664560 1.00 TDP1 (0.54) TDP1AXLPKML3MBTL1KDM4E
SCHEMBL28199188 0.88 GRM5 (0.50) TDP1AXLPKML3MBTL1KDM4E
SCHEMBL812065 0.86 KDM4E (0.59) TDP1PKML3MBTL1KDM4EPOLB
SCHEMBL27862967 0.83 TSHR (0.57) L3MBTL1KDM4EATMLMNATSHR
SCHEMBL30071543 0.83 TSHR (0.57) L3MBTL1KDM4EATMLMNATSHR
SCHEMBL14840898 0.83 TDP1 (0.47) TDP1PKML3MBTL1KDM4EPOLB
SCHEMBL812066 0.83 AXL (0.47) TDP1AXLPKML3MBTL1KDM4E
SCHEMBL7649536 0.82 TDP1 (0.59) TDP1PKML3MBTL1KDM4EPOLB
SCHEMBL29694130 0.82 SLC6A3 (0.55) TDP1AXLPKML3MBTL1KDM4E
SCHEMBL5234641 0.82 SLC6A3 (0.55) TDP1AXLPKML3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439794-A Spectroscopically or photoactively determination when bound to Dna THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1995-08-08 US claimed
US-5157032-A Spectroscopically or photoactively determinable THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1992-10-20 US claimed
US-5112974-A Targets tumor cells for radiation treatment, metal complexes with amines or imines THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1992-05-12 US claimed
WO-1990005732-A1 MIXED LIGAND COMPLEXES AND USES THEREOF AS BINDING AGENTS AND PROBRES TO DNA THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OFNEW YORK (US) 1990-05-31 WO claimed
CN-118176175-A Method for producing perfluoroalkyl group-containing aromatic compound 大金工业株式会社 2024-06-11 CN disclosed
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
EP-2390241-B1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-10-01 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20120208190-A1 LUMINESCENT METAL ION COMPLEXES BIOSEARCH TECHNOLOGIES, INC. (US) 2012-08-16 US disclosed
US-8119781-B2 Luminescent metal ion complexes BIOSEARCH TECHNOLOGIES, INC. (US) 2012-02-21 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
US-20100130733-A1 LUMINESCENT METAL ION COMPLEXES BIOSEARCH TECHNOLOGIES, INC. (US) 2010-05-27 US disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO disclosed
US-20040146895-A1 Luminescent metal ion complexes BIOSEARCH TECHNOLOGIES, INC. 2004-07-29 US disclosed
WO-2004037907-A2 LUMINESCENT METAL ION COMPLEXES BIOSEARCH TECHNOLOGIES, INC. (US) 2004-05-06 WO disclosed
US-6323303-B1 POLYMERIZING DIARYLOXY COMPOUND WITH A DIHYDRIC PHENOL COMPOUND IN THE PRESENCE OF A RUTHENIUM (II) OR RUTHENIUM (III) COMPOUND OR COMPLEX; OPTIONALLY IN PRESENCE OF A TETRAALKYL AMMONIUM OR TETRAALKYL PHOSPHONIUM SALT GENERAL ELECTRIC COMPANY 2001-11-27 US disclosed
US-5716781-A FORMING A SOLUTION CONTAINING AN ANALYTE COMPRISING FIRST CHEMILUMINESCENT COMPLEX AND AN INTERNAL STANDARD CONTAINING OSMIUM BIPYRIDYL COMPLEX, INDEPENDENTLY MEASURING ELECTROLUMINESCENCE EMITTED BY ANALYTE AND STANDARD IGEN INTERNATIONAL INC. (US) 1998-02-10 US disclosed
US-5112974-A Targets tumor cells for radiation treatment, metal complexes with amines or imines THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1992-05-12 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 (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-20040146895-A1 Luminescent metal ion complexes SLC30A6, SLC39A14, SLC39A3 TDP1 4051/4885AXL 4385/4885PKM 3449/4885
US-20100130733-A1 LUMINESCENT METAL ION COMPLEXES SLC30A6, SLC39A14, SLC39A3 TDP1 4051/4885AXL 4385/4885PKM 3449/4885
US-20120208190-A1 LUMINESCENT METAL ION COMPLEXES SLC30A6, SLC39A14, SLC39A3 TDP1 4051/4885AXL 4385/4885PKM 3449/4885
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA TDP1 494/4885AXL 532/4885PKM 560/4885

“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.