SCHEMBL14658243

SCHEMBL14658243

O=C(Nc1cc2ccccc2cn1)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
ABL1 P00519 2/20 0.50
CHEK1 O14757 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MTOR P42345 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
MAOB P27338 1/20 0.48
WNT3A P56704 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CDK5 Q00535 1/20 0.47
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
RAD51 Q06609 1/20 0.45
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL18058629 0.82 CCNE1 (0.48) NOTUMALDH1A1KDM4ECCNE1CDK2
SCHEMBL2841751 0.82 NOTUM (0.57) NOTUMABL1CHEK1ALDH1A1KDM4E
SCHEMBL30481268 0.79 GSK3B (0.71) ABL1
SCHEMBL28166698 0.79 GSK3B (0.60) NOTUMABL1CHEK1ALDH1A1KDM4E
SCHEMBL30636341 0.79 GSK3B (0.60) NOTUMABL1CHEK1ALDH1A1KDM4E
SCHEMBL24456557 0.79 MTOR (0.49) NOTUMALDH1A1KDM4EMTORCCNE1
SCHEMBL15890212 0.79 KMT2A (0.48) NOTUMABL1ALDH1A1KDM4EMTOR
SCHEMBL2595570 0.78 CCNE1 (0.47) ALDH1A1KDM4ECCNE1CDK2CDK5
SCHEMBL7244914 0.78 ALDH1A1 (0.56) ALDH1A1KDM4ETRPV1MAOBCCNE1
SCHEMBL4589056 0.78 HDAC6 (0.65) ABL1CHEK1KDM4EMTORKMT2A

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-9029378-B2 Substituted bicyclic aromatic carboxamide and urea compounds as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-05-12 US disclosed
US-9029378-B2 Substituted bicyclic aromatic carboxamide and urea compounds as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-05-12 US disclosed
EP-2736899-A1 SUBSTITUTED BICYCLIC AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2014-06-04 EP disclosed
US-20130029995-A1 Substituted Bicyclic Aromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-01-31 US disclosed
US-20130029995-A1 Substituted Bicyclic Aromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-01-31 US disclosed
WO-2013013816-A1 SUBSTITUTED BICYCLIC AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-01-31 WO disclosed
WO-2013013816-A1 SUBSTITUTED BICYCLIC AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-01-31 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-20130029995-A1 Substituted Bicyclic Aromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, TRPV2, TRPV4 NOTUM 3964/4885ABL1 3600/4885CHEK1 2392/4885

“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.