SCHEMBL10172745

SCHEMBL10172745

COc1ccccc1-c1nn(C)c(-c2nc3ccc(C(=O)O)cc3[nH]2)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.50
PDE4B Q07343 4/20 0.50
PDE4C Q08493 4/20 0.50
PDE4D Q08499 4/20 0.50
HDAC6 Q9UBN7 1/20 0.48
CHEK2 O96017 5/20 0.48
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
FOXO1 Q12778 1/20 0.45
NR4A2 P43354 1/20 0.45
TDP1 Q9NUW8 3/20 0.45
HSP90AA1 P07900 1/20 0.45
ESR2 Q92731 1/20 0.45
TP53 P04637 2/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 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
SCHEMBL7976378 0.91 CHEK2 (0.56) HDAC6CHEK2F2F10PLG
SCHEMBL10172740 0.91 HDAC6 (0.50) HDAC6CHEK2F2F10PLG
SCHEMBL10140879 0.91 POLB (0.48) PDE4APDE4BPDE4CPDE4DHDAC6
SCHEMBL7961586 0.88 CHEK2 (0.53) PDE4APDE4BPDE4CPDE4DHDAC6
SCHEMBL10140880 0.83 CYP3A4 (0.43) HDAC6CHEK2F2F10PLG
SCHEMBL3168707 0.83 HDAC6 (0.62) PDE4APDE4BPDE4CPDE4DHDAC6
SCHEMBL10140874 0.83 CHEK2 (0.52) CHEK2
SCHEMBL10140405 0.81 CHEK2 (0.48) PDE4APDE4BPDE4CPDE4DHDAC6
SCHEMBL7960793 0.80 KDM4E (0.52) HDAC6CHEK2FOXO1TP53MAPT
SCHEMBL7966206 0.80 CHEK2 (0.61) CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 EP disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 PDE4A 2629/4885PDE4B 2540/4885PDE4C 2045/4885

“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.