SCHEMBL1509513

SCHEMBL1509513

CNC(=O)c1ccc2nc(-c3cc(-c4cccnc4OC)ccc3O)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.55
HDAC6 Q9UBN7 11/20 0.51
CDK4 P11802 1/20 0.50
CCNA2 P20248 1/20 0.50
CCND1 P24385 1/20 0.50
CDK2 P24941 1/20 0.50
CCND3 P30281 1/20 0.50
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
PRSS1 P07477 1/20 0.46
HDAC3 O15379 4/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC2 Q92769 2/20 0.46
CARM1 Q86X55 1/20 0.44
PLK1 P53350 1/20 0.43
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL14090606 0.93 HDAC6 (0.48) CHEK2HDAC6CDK4CCNA2CCND1
SCHEMBL1509594 0.92 HDAC6 (0.50) CHEK2HDAC6F2F10PLG
SCHEMBL1509469 0.91 MMP2 (0.48) HDAC6F2F10PLGPLAU
SCHEMBL14091679 0.90 F2 (0.48) CHEK2HDAC6F2F10PLG
SCHEMBL1509482 0.90 CHEK2 (0.53) CHEK2HDAC6F2F10PLG
SCHEMBL1509635 0.89 CHEK2 (0.53) CHEK2F2F10PLGPLAU
SCHEMBL14090572 0.88 HDAC6 (0.47) CHEK2HDAC6CDK4CCNA2CCND1
SCHEMBL14090554 0.88 HDAC6 (0.47) CHEK2HDAC6F2F10PLG
SCHEMBL14090543 0.87 HDAC6 (0.48) HDAC6F2F10PLGPLAU
SCHEMBL14090525 0.87 HDAC6 (0.46) CHEK2HDAC6CDK4CCNA2CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US disclosed
EP-1960382-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS ChemBridge Research Laboratories, Inc. (US) 2008-08-27 EP disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 WO disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 CHEK2 330/4885HDAC6 541/4885CDK4 110/4885

“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.