SCHEMBL14685153

SCHEMBL14685153

Cn1c(C2CCC2)nc2c(Cl)nccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.48
RXFP1 Q9HBX9 1/20 0.38
PARP1 P09874 1/20 0.37
JAK2 O60674 1/20 0.36
TYK2 P29597 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
RPS6KA5 O75582 1/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
PIK3CA P42336 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
ADORA2A P29274 3/20 0.34
ADORA2B P29275 3/20 0.34
ADORA1 P30542 1/20 0.34
MCHR1 Q99705 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL18231783 0.85 TLR7 (0.48) TLR7PARP1JAK2TYK2RPS6KA5
SCHEMBL13905393 0.78 NOS1 (0.44) TLR7ADORA3PDE4APDE4BPDE4C
SCHEMBL6027737 0.74 CYP1A2 (0.48) RXFP1JAK2TYK2RPS6KA5ADORA2A
SCHEMBL4468691 0.72 RXFP1 (0.42) RXFP1JAK2TYK2RPS6KA5ADORA2A
SCHEMBL11923724 0.72 PARP1 (0.46) TLR7PARP1JAK2TYK2ADORA3
SCHEMBL11923722 0.71 NOS1 (0.39) TLR7JAK2TYK2ADORA3PDE4A
SCHEMBL30899886 0.71 ACACB (0.41) TLR7PARP1ADORA3PDE4APDE4B
SCHEMBL4458405 0.70 ADORA2A (0.67) RXFP1ADORA3RPS6KA5ADORA2AADORA2B
SCHEMBL6756278 0.70 TLR7 (0.54) TLR7PARP1ADORA3ADORA2AADORA2B
SCHEMBL29878888 0.69 RXFP1 (0.40) RXFP1JAK2TYK2RPS6KA5PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969345-B2 Dibenzooxepin derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-03-03 US 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
WO-2013018899-A1 DIBENZOOXEPIN DERIVATIVE 協和発酵キリン株式会社 (JP) 2013-02-07 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-20140163008-A1 DIBENZOOXEPIN DERIVATIVE PPARA, PPARG, PPARD TLR7 520/4885RXFP1 28/4885PARP1 3969/4885

“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.