SCHEMBL730405

SCHEMBL730405

O=Cc1ccnc(-c2cc(C=O)ccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.42
CCR5 P51681 3/20 0.42
CCR8 P51685 3/20 0.42
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.39
PTGS2 P35354 1/20 0.39
RAB9A P51151 1/20 0.39
UNG P13051 1/20 0.39
CYP2A6 P11509 2/20 0.38
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.35
IDH1 O75874 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A3 P47895 1/20 0.34
FDPS P14324 1/20 0.34
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
KDM5C P41229 1/20 0.34

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
SCHEMBL29387096 1.00 CCR1 (0.42) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL30259554 0.98 CCR1 (0.41) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL30259309 0.98 CCR1 (0.41) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL17057411 0.91 CYP2A6 (0.37) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL23787847 0.89 KDM4E (0.42) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL1508069 0.88 CCR1 (0.65) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL29943121 0.88 CCR1 (0.65) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL30472762 0.88 KDM4E (0.54) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL4541928 0.88 KDM4E (0.54) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL3721732 0.86 KDM4E (0.44) CCR1CCR5CCR8ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12161637-B2 Anti-cancer gold complex, process of synthesis and method of treatment thereof KING SAUD UNIVERSITY (SA) 2024-12-10 US claimed
US-20230087073-A1 ANTI-CANCER GOLD COMPLEX, PROCESS OF SYNTHESIS AND METHOD OF TREATMENT THEREOF KING SAUD UNIVERSITY (SA) 2023-03-23 US claimed
CN-106000386-B A kind of catalyst and the method using catalyst preparation 2,2 '-bipyridyl-the 4,4 '-diacrylate 河南省商业科学研究所有限责任公司 2018-08-14 CN claimed
CN-106000386-A Catalyst, and method for preparing 2,2'-dipyridyl-4,4'-diacrylic acid by using catalyst 河南省商业科学研究所有限责任公司 2016-10-12 CN claimed
US-20110006295-A1 COMPOUNDS HAVING ELECTROLUMINESCENT OR ELECTRON TRANSPORT PROPERTIES MERCK PATENT GMBH 2011-01-13 US claimed
EP-2250151-A1 COMPOUNDS HAVING ELECTROLUMINESCENT OR ELECTRON TRANSPORT PROPERTIES Merck Patent GmbH (DE) 2010-11-17 EP claimed
WO-2009112854-A1 COMPOUNDS HAVING ELECTROLUMINESCENT OR ELECTRON TRANSPORT PROPERTIES MERCK PATENT GMBH (DE) 2009-09-17 WO claimed
US-12636366-B2 Ruthenium (II) complexes and conjugates thereof for use as photosensitizer agent in photodynamic therapy ECOLE NATIONALE SUPERIEURE DE CHIMIE DE PARIS (FR) 2026-05-26 US disclosed
US-12161637-B2 Anti-cancer gold complex, process of synthesis and method of treatment thereof KING SAUD UNIVERSITY (SA) 2024-12-10 US disclosed
US-20230087073-A1 ANTI-CANCER GOLD COMPLEX, PROCESS OF SYNTHESIS AND METHOD OF TREATMENT THEREOF KING SAUD UNIVERSITY (SA) 2023-03-23 US disclosed
US-20220296711-A1 Ruthenium (II) Complexes and Conjugates Thereof for Use as Photosensitizer Agent in Photodynamic Therapy UNIVERSITY OF ZÜRICH (CH) 2022-09-22 US disclosed
EP-3986904-A1 RUTHENIUM (II) COMPLEXES AND CONJUGATES THEREOF FOR USE AS PHOTOSENSITIZER AGENT IN PHOTODYNAMIC THERAPY Paris Sciences et Lettres (FR) 2022-04-27 EP disclosed
EP-3757111-A1 RUTHENIUM (II) COMPLEXES AND CONJUGATES THEREOF FOR USE AS PHOTOSENSITIZER AGENT IN PHOTODYNAMIC THERAPY Paris Sciences et Lettres - Quartier Latin (FR) 2020-12-30 EP disclosed
WO-2008137740-A1 FULVENE AND FULVALENE ANALOGS AND THEIR USE IN TREATING CANCERS EMORY UNIVERSITY (US) 2008-11-13 WO disclosed
US-20080275016-A1 For drug resistant cancers; antiinflammatory agents;degenerative or vascular diseases; blocking nitrogen oxide so growth of tumors is suppressed U.S. GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS, THE 2008-11-06 US disclosed
US-20080275016-A1 For drug resistant cancers; antiinflammatory agents;degenerative or vascular diseases; blocking nitrogen oxide so growth of tumors is suppressed U.S. GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS, THE 2008-11-06 US disclosed
WO-2008102962-A1 NOBLE RUTHENIUM-TYPE SENSITIZER AND METHOD OF PREPARING THE SAME DONGJIN SEMICHEM CO., LTD. (KR) 2008-08-28 WO disclosed
US-20070209695-A1 Dye and Dye-Sensitized Solar Cell JSR CORPORATION (JP) 2007-09-13 US disclosed
EP-1767588-A1 DYE AND DYE-SENSITIZED SOLAR CELL JSR Corporation (JP) 2007-03-28 EP disclosed
EP-0360820-B1 OLIGOBIPYRIDINE LIGANDS, PROCESS FOR OBTAINING THEM AND APPLICATION AS COMPLEXING AGENTS CIS BIO INTERNATIONAL (FR) 1992-08-19 EP 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 (7 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-20220296711-A1 Ruthenium (II) Complexes and Conjugates Thereof for Use as Photosensitizer Agent in Photodynamic Therapy ANXA5, CD47, SPR CCR1 3484/4885CCR5 1969/4885CCR8 4073/4885
US-12636366-B2 Ruthenium (II) complexes and conjugates thereof for use as photosensitizer agent in photodynamic therapy FABP2, APC, TP53 CCR1 1967/4885CCR5 1492/4885CCR8 1892/4885
US-20230087073-A1 ANTI-CANCER GOLD COMPLEX, PROCESS OF SYNTHESIS AND METHOD OF TREATMENT THEREOF NDUFAB1, AIFM1, NDUFV2 CCR1 4860/4885CCR5 4705/4885CCR8 4717/4885
US-20070209695-A1 Dye and Dye-Sensitized Solar Cell MLX, CRY2, MSL1 CCR1 2375/4885CCR5 2949/4885CCR8 4628/4885
US-20110006295-A1 COMPOUNDS HAVING ELECTROLUMINESCENT OR ELECTRON TRANSPORT PROPERTIES NR2E3, NR4A2, NR4A3 CCR1 1330/4885CCR5 2102/4885CCR8 1334/4885
US-12161637-B2 Anti-cancer gold complex, process of synthesis and method of treatment thereof NDUFAB1, AIFM1, NDUFV2 CCR1 4860/4885CCR5 4705/4885CCR8 4717/4885
US-20080275016-A1 For drug resistant cancers; antiinflammatory agents;degenerative or vascular diseases; blocking nitrogen oxide so growth of tumors is suppressed NOX1, NOX3, ROS1 CCR1 1150/4885CCR5 1987/4885CCR8 632/4885

“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.