SCHEMBL15767249

SCHEMBL15767249

Ic1c(C2CC2)nc2cccnn12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.43
ALOX5 P09917 1/20 0.37
PDE4B Q07343 16/20 0.34
PDE4D Q08499 16/20 0.34
PDE4C Q08493 14/20 0.34
MYC P01106 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32

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
SCHEMBL14685160 0.80 PDE10A (0.41) PDE4AALOX5PDE4BPDE4DPDE4C
SCHEMBL2749627 0.76 PDE4B (0.35) PDE4AALOX5PDE4BPDE4DPDE4C
SCHEMBL22330398 0.76 PDE4B (0.34) PDE4AALOX5PDE4BPDE4DPDE4C
SCHEMBL31165789 0.75 PDE4A (0.48) PDE4APDE4BPDE4DPDE4CMKNK1
SCHEMBL20771485 0.75 PDE4B (0.39) PDE4APDE4BPDE4DPDE4C
SCHEMBL3948108 0.74 ALOX5 (0.36) PDE4AALOX5PDE4BPDE4DPDE4C
SCHEMBL17121438 0.72 PDE4A (0.48) PDE4APDE4BPDE4DPDE4CMKNK1
SCHEMBL1745964 0.72 PDE4A (0.48) PDE4APDE4BPDE4DPDE4CMKNK1
SCHEMBL4710416 0.71 MAPKAPK2 (0.44) PDE4APDE4BPDE4DPDE4CMKNK1
SCHEMBL20778287 0.71 PDE4B (0.43) PDE4APDE4BPDE4DPDE4C

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-2740730-B1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2016-11-16 EP disclosed
US-8969345-B2 Dibenzooxepin derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-03-03 US disclosed
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-12 US disclosed
EP-2740730-A1 DIBENZOOXEPIN DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2014-06-11 EP 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-20140163008-A1 DIBENZOOXEPIN DERIVATIVE PPARA, PPARG, PPARD PDE4A 1095/4885ALOX5 512/4885PDE4B 1267/4885

“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.