SCHEMBL3620548

SCHEMBL3620548

NC(=O)c1cccnc1-c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.51
PARP1 P09874 2/20 0.50
KDM4E B2RXH2 6/20 0.48
TDP1 Q9NUW8 1/20 0.48
TGFBR1 P36897 1/20 0.47
TGFBR2 P37173 1/20 0.47
DHODH Q02127 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL29455925 0.98 GRM5 (0.50) GRM5PARP1KDM4ETDP1TGFBR1
SCHEMBL4186883 0.85 KDM4E (0.65) PARP1KDM4ETDP1ALDH1A1HPGD
SCHEMBL646624 0.84 KDM4E (0.71) KDM4ETDP1DHODHALDH1A1LMNA
SCHEMBL29693966 0.84 KDM4E (0.71) KDM4ETDP1DHODHALDH1A1LMNA
SCHEMBL28687328 0.84 KDM4E (0.46) GRM5KDM4ETDP1TGFBR1TGFBR2
SCHEMBL31214633 0.82 KDM4E (0.69) KDM4ETDP1DHODHALDH1A1LMNA
SCHEMBL2384672 0.82 KDM4E (0.69) KDM4ETDP1DHODHALDH1A1LMNA
SCHEMBL5670751 0.82 KDM4E (0.48) GRM5KDM4ETDP1TGFBR1TGFBR2
SCHEMBL14670506 0.82 KDM4E (0.48) GRM5KDM4ETDP1ALDH1A1HPGD
SCHEMBL28561077 0.82 KDM4E (0.69) KDM4ETDP1DHODHALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082310-B Bipyridine amide derivative, and preparation and application thereof 厦门大学 2024-08-20 CN claimed
CN-112892592-B Rhodium-based electron mediator [ Cp-Rh (bpy) H 2 O] 2+ Photocatalyst Uio-66-NH fixed on 2 Method of surfacing 中国科学院青岛生物能源与过程研究所 2022-11-11 CN claimed
CN-112892592-A A rhodium-based electron mediator [ Cp Rh (bpy) H2O]2+Method for fixing photocatalyst Uio-66-NH2 surface 中国科学院青岛生物能源与过程研究所 2021-06-04 CN claimed
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
EP-0180492-B1 MACROPOLYCYCLIC COMPLEXES OF RARE EARTH METALS AND APPLICATION AS FLUORESCENT LABELS CIS BIO INTERNATIONAL (FR) 1993-06-02 EP 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
JP-57131719-A None JP disclosed
US-12145945-B2 Compounds, compositions, and therapeutic uses thereof BREAKPOINT THERAPEUTICS GMBH (DE) 2024-11-19 US disclosed
CN-116082310-B Bipyridine amide derivative, and preparation and application thereof 厦门大学 2024-08-20 CN disclosed
CN-116082310-B Bipyridine amide derivative, and preparation and application thereof 厦门大学 2024-08-20 CN disclosed
CN-117832605-B Composite solid electrolyte and all-solid-state lithium battery cell 东莞市红树林新能源有限公司 2024-06-11 CN disclosed
EP-4347579-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN Captor Therapeutics S.A. (PL) 2024-04-10 EP disclosed
JP-2007077100-A METHOD FOR PRODUCING EPOXY COMPOUND NAGOYA INSTITUTE OF TECHNOLOGY 2007-03-29 JP 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
WO-1998044162-A1 DIPYRIDYLAMINE LIGAND BOUND TO A POLYMER CARRIER FOR EXTRACTING METAL IONS BUCHMEISER MICHAEL RUDOLF (AT) 1998-10-08 WO 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
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 disclosed
JP-S57131719-A BLOOD SUGAR LEVEL LOWERING AGENT CHUGAI PHARMACEUT CO LTD 1982-08-14 JP 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-12145945-B2 Compounds, compositions, and therapeutic uses thereof POLQ, POLK, POLB GRM5 4337/4885PARP1 153/4885KDM4E 3750/4885

“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.