SCHEMBL1914955

SCHEMBL1914955

Nc1nccc(-c2ccccc2Cl)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.59
HSP90AB1 P08238 2/20 0.59
DYRK1A Q13627 4/20 0.57
AURKA O14965 1/20 0.56
PRKACA P17612 1/20 0.56
ADORA2A P29274 1/20 0.56
JAK2 O60674 1/20 0.54
KMO O15229 1/20 0.53
CDK5 Q00535 3/20 0.53
CDK5R1 Q15078 3/20 0.53
CDK2 P24941 3/20 0.53
CCNT1 O60563 2/20 0.53
CCNA2 P20248 2/20 0.53
CDK9 P50750 2/20 0.53
CCNA1 P78396 2/20 0.53
GSK3B P49841 2/20 0.51
MAP3K14 Q99558 2/20 0.51
CLK1 P49759 1/20 0.51
CHRNA7 P36544 1/20 0.48
KDM4E B2RXH2 3/20 0.48

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
SCHEMBL2989087 0.83 KMO (0.61) HSP90AA1DYRK1AAURKAPRKACAADORA2A
SCHEMBL13977721 0.82 JAK2 (0.60) HSP90AA1HSP90AB1DYRK1AAURKAPRKACA
SCHEMBL29002136 0.81 HSP90AA1 (0.46) HSP90AA1HSP90AB1DYRK1AADORA2AJAK2
SCHEMBL30046927 0.81 HSP90AA1 (0.60) HSP90AA1HSP90AB1DYRK1AAURKAPRKACA
SCHEMBL447060 0.81 CYP19A1 (0.47) HSP90AA1HSP90AB1DYRK1AJAK2KMO
SCHEMBL10940020 0.81 CYP19A1 (0.56) HSP90AA1HSP90AB1KMOMAPTL3MBTL1
SCHEMBL18130895 0.81 HSP90AA1 (0.60) HSP90AA1HSP90AB1DYRK1AAURKAPRKACA
SCHEMBL503736 0.80 CDK5 (0.53) HSP90AA1HSP90AB1DYRK1AAURKAPRKACA
SCHEMBL4738230 0.80 CCNT1 (0.60) HSP90AA1DYRK1AAURKAPRKACAADORA2A
SCHEMBL29548754 0.80 CCNT1 (0.60) HSP90AA1DYRK1AAURKAPRKACAADORA2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC HSP90AA1 3333/4885HSP90AB1 3279/4885DYRK1A 4166/4885

“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.