SCHEMBL451027

SCHEMBL451027

[c]1ncccc1-c1ccc[nH]1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.34
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
AURKA O14965 1/20 0.32
KDR P35968 1/20 0.32
AKT1 P31749 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
BCHE P06276 1/20 0.30

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
SCHEMBL4909130 0.77
SCHEMBL4849063 0.76 KDM4C (0.33) KDM4CCDK5CDK5R1AURKAKDR
SCHEMBL297602 0.73 NISCH (0.48)
SCHEMBL6766558 0.72 KDM4C (0.36) KDM4CCDK5CDK5R1AURKAKDR
SCHEMBL450731 0.72 KDM4C (0.33) KDM4CCDK5CDK5R1AURKAKDR
SCHEMBL2696780 0.69 KDM4C (0.30) KDM4C
SCHEMBL690118 0.68 CYP19A1 (0.53) AURKAKDR
SCHEMBL496792 0.68 HDAC1 (0.31) HDAC1HDAC6
SCHEMBL5986483 0.68 PPARA (0.36)
SCHEMBL291290 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113454081-A Imidazopyridinyl compounds and their use for the treatment of proliferative diseases 第一生物治疗股份有限公司 2021-09-28 CN claimed
CN-113454082-A Imidazopyridinyl compounds and their use for the treatment of neurodegenerative diseases 第一生物治疗股份有限公司 2021-09-28 CN claimed
EP-2566865-B1 Thiazole derivatives as pest controller BAYER IP GMBH (DE) 2014-06-25 EP claimed
EP-1641792-B1 PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS NYCOMED GMBH (DE) 2010-08-25 EP claimed
US-7384942-B2 3-(2,4-dichlorophenyl)-5-bromoyrazine-2-ylamine; inhibiting the formation of neurofibrillary tangles; neurodegenerative, brain disorders; treatment of Alzheimer's disease with one or more additional agents donepezil or tacrine; anticarcinogenic, antiischemic, antidiabetic; insulin resistance NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-06-10 US claimed
EP-1237880-B1 PYRAZINE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-01-23 EP claimed
US-20060135534-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-06-22 US claimed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US claimed
US-6989382-B2 Carbocycle based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-01-24 US claimed
EP-1607396-A1 Bicyclic inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2005-12-21 EP claimed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO claimed
US-20010044436-A1 Bicyclic inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2001-11-22 US claimed
US-20010034051-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2001-10-25 US claimed
WO-2001044246-A1 BICYCLIC INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2001-06-21 WO claimed
WO-2001044206-A1 PYRAZINE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2001-06-21 WO claimed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP claimed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO claimed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP claimed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO claimed
US-5001160-A 1-aryl-1-hydroxy-1-substituted-3-(4-substituted-1-piperazinyl)-2-propanones and their use in treatment of neurogenic bladder disorders MARION LABORATORIES, INC. (US) 1991-03-19 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20010034051-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP KDM4C 3070/4885CDK5 141/4885CDK5R1 239/4885
US-20010044436-A1 Bicyclic inhibitors of glycogen synthase kinase 3 GSK3A, GSK3B, GSKIP KDM4C 2729/4885CDK5 195/4885CDK5R1 265/4885
US-20060135534-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP KDM4C 3070/4885CDK5 141/4885CDK5R1 239/4885

“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.