SCHEMBL6700740

SCHEMBL6700740

COCCOc1cc2c(N3CCN(C(=O)O)C(C(C)(C)C)C3)ncnc2cc1OCCC1CCCCN1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.48
PDGFRB P09619 15/20 0.46
PDE3A Q14432 1/20 0.43
KIT P10721 1/20 0.43
PDGFRA P16234 1/20 0.43
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41

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
SCHEMBL906230 0.95 PDE3A (0.49) PDGFRBPDE3APDGFRATLR9TLR7
SCHEMBL6700735 0.83 PDGFRB (0.53) KDM1APDGFRBKIT
SCHEMBL6950156 0.80 KDM1A (0.57) KDM1APDGFRBPDE3AKITPDGFRA
SCHEMBL1132415 0.79 PDGFRB (0.51) PDGFRBPDE3APDGFRA
SCHEMBL906228 0.79 PDGFRB (0.56) PDGFRBKITTLR9TLR7
SCHEMBL906231 0.79 PDE10A (0.46) PDGFRBPDE3APDGFRA
SCHEMBL6704570 0.76 PDGFRB (0.79) PDGFRBKITPDGFRA
SCHEMBL6704362 0.76 PDGFRB (0.79) PDGFRBKITPDGFRA
SCHEMBL906243 0.76 KIT (0.59) PDGFRBPDE3AKITPDGFRA
SCHEMBL29055042 0.76 PDE3A (0.57) PDGFRBPDE3AKITPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259881-A1 Nitrogenous heterocyclic compounds KYOWA HAKKO KOGYO CO, LTD. (JP) 2004-12-23 US disclosed
EP-1309567-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS Millennium Pharmaceuticals, Inc. (US) 2003-05-14 EP disclosed
WO-2002016360-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS COR THERAPEUTICS, INC. (US) 2002-02-28 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-20040259881-A1 Nitrogenous heterocyclic compounds WNK2, CDK5, PDGFRA KDM1A 4148/4885PDGFRB 5/4885PDE3A 753/4885

“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.