SCHEMBL2895467

SCHEMBL2895467

c1ccc(Cn2nncc2-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.61
P2RX7 Q99572 1/20 0.60
HDAC1 Q13547 3/20 0.54
HDAC3 O15379 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
IDO1 P14902 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
HSD11B1 P28845 1/20 0.47
HPGDS O60760 2/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
CASP3 P42574 1/20 0.45
NR1H3 Q13133 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 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
SCHEMBL25010024 0.89 CDC7 (0.58) CDC7P2RX7HDAC1HDAC3HDAC2
SCHEMBL28809840 0.89 CDC7 (0.58) CDC7P2RX7HDAC1HDAC3HDAC2
SCHEMBL20497362 0.87 CDC7 (0.56) CDC7P2RX7HDAC1HDAC3HDAC2
SCHEMBL2895624 0.85 CDC7 (0.54) CDC7P2RX7HDAC1HDAC3HDAC2
SCHEMBL18381687 0.85 CDC7 (0.54) CDC7P2RX7HDAC1HDAC3HDAC2
SCHEMBL17086049 0.85 CDC7 (0.54) CDC7P2RX7HDAC1HDAC3HDAC2
SCHEMBL28633144 0.85 HDAC1 (0.58) CDC7P2RX7HDAC1HDAC3HDAC2
SCHEMBL2897806 0.82 CDC7 (0.70) CDC7P2RX7HDAC1HDAC3HDAC2
SCHEMBL27953889 0.82 CDC7 (0.52) CDC7P2RX7HDAC1HDAC3HDAC2
SCHEMBL2896191 0.82 HDAC1 (0.51) CDC7P2RX7HDAC1HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108640880-A The synthetic method of 1- alkyl -5- aryl -1,2,3- triazole compounds 河南师范大学 2018-10-12 CN claimed
EP-1306131-B1 Cross-coupling process using a catalyst comprising a cyclic nitrogen ligand SUMITOMO CHEMICAL CO (JP) 2016-12-07 EP disclosed
US-9447246-B2 Method of covalently bonding an organic metal complex to a polymer CYNORA GMBH (DE) 2016-09-20 US disclosed
US-9447246-B2 Method of covalently bonding an organic metal complex to a polymer CYNORA GMBH (DE) 2016-09-20 US disclosed
US-9447245-B2 Cross-linking and stabilization of organic metal complexes in networks CYNORA GMBH (DE) 2016-09-20 US disclosed
US-9447245-B2 Cross-linking and stabilization of organic metal complexes in networks CYNORA GMBH (DE) 2016-09-20 US disclosed
EP-2729505-B1 METHOD FOR COVALENT BINDING OF A METAL COMPOUND TO A POLYMER CYNORA GMBH (DE) 2016-03-23 EP disclosed
US-20150259305-A1 CATALYTIC REACTION NATIONAL TSING HUA UNIVERSITY (TW) 2015-09-17 US disclosed
US-20150259305-A1 CATALYTIC REACTION NATIONAL TSING HUA UNIVERSITY (TW) 2015-09-17 US disclosed
EP-1943004-B1 RUTHENIUM-CATALYZED CYCLOADDITION OF ALKYNES AND ORGANIC AZIDES SCRIPPS RESEARCH INST (US) 2015-06-03 EP disclosed
WO-2013007709-A2 CROSS-LINKING AND STABILIZATION OF ORGANIC METAL COMPLEXES IN NETWORKS CYNORA GMBH (DE) 2013-01-17 WO disclosed
US-20100286405-A1 Ruthenium-Catalyzed Cycloaddition of Alkynes and Organic Azides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-11-11 US disclosed
US-20100286405-A1 Ruthenium-Catalyzed Cycloaddition of Alkynes and Organic Azides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-11-11 US disclosed
CN-101316640-A Ruthenium-catalyzed cycloaddition of alkynes and organic azides SCRIPPS RESEARCH INST (US) 2008-12-03 CN disclosed
EP-1943004-A2 RUTHENIUM-CATALYZED CYCLOADDITION OF ALKYNES AND ORGANIC AZIDES The Scripps Research Institute (US) 2008-07-16 EP disclosed
WO-2007041451-A2 RUTHENIUM-CATALYZED CYCLOADDITION OF ALKYNES AND ORGANIC AZIDES THE SCRIPPS RESEARCH INSTITUTE (US) 2007-04-12 WO disclosed
US-20060111593-A1 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2006-05-25 US disclosed
US-7041856-B2 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-05-09 US disclosed
US-20030162950-A1 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-28 US disclosed
EP-1306131-A2 Cross-Coupling catalyst comprising a cyclic nitrogen ligand and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-02 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 (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-20030162950-A1 Coupling catalyst and process using the same NOD1, PYM1, C9 CDC7 3696/4885P2RX7 1712/4885HDAC1 772/4885
US-20100286405-A1 Ruthenium-Catalyzed Cycloaddition of Alkynes and Organic Azides CBR3, AOC3, CYB5R3 CDC7 1557/4885P2RX7 1252/4885HDAC1 2070/4885
US-20150259305-A1 CATALYTIC REACTION HAO2, CAT, HAAO CDC7 458/4885P2RX7 4161/4885HDAC1 2575/4885
US-20060111593-A1 Coupling catalyst and process using the same RPL22, C9, RBM22 CDC7 3395/4885P2RX7 332/4885HDAC1 1082/4885

“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.