SCHEMBL1509502

SCHEMBL1509502

COc1ncccc1-c1ccc(O)c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.47
F2 P00734 4/20 0.46
F10 P00742 4/20 0.46
PLG P00747 4/20 0.46
PLAU P00749 4/20 0.46
PRSS1 P07477 4/20 0.46
PLAT P00750 3/20 0.46
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
HPN P05981 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CHEK2 O96017 5/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
PDE10A Q9Y233 2/20 0.41
FFAR4 Q5NUL3 1/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40

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
SCHEMBL14090607 0.93 CDK1 (0.44) HDAC6F2F10PLGPLAU
SCHEMBL14091679 0.90 F2 (0.48) HDAC6F2F10PLGPLAU
SCHEMBL1509482 0.90 CHEK2 (0.53) HDAC6F2F10PLGPLAU
SCHEMBL1509635 0.89 CHEK2 (0.53) F2F10PLGPLAUPRSS1
SCHEMBL1509469 0.89 MMP2 (0.48) HDAC6F2F10PLGPLAU
SCHEMBL1509513 0.87 CHEK2 (0.55) HDAC6F2F10PLGPLAU
SCHEMBL1509594 0.86 HDAC6 (0.50) HDAC6F2F10PLGPLAU
SCHEMBL4964237 0.86 HDAC6 (0.53) HDAC6F2F10PLGPLAU
SCHEMBL14090454 0.84 HDAC6 (0.44) HDAC6F2F10PLGPLAU
SCHEMBL12834540 0.83 L3MBTL1 (0.46) HDAC6CHEK2

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 HDAC6 541/4885F2 2487/4885F10 3867/4885

“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.