SCHEMBL9603336

SCHEMBL9603336

CCCc1nc2cccnc2n1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.58
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 3/20 0.45
RAB9A P51151 2/20 0.45
USP2 O75604 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PABPC1 P11940 1/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
AGTR1 P30556 1/20 0.43
AGTR2 P50052 1/20 0.43

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
SCHEMBL11923717 0.86 MEN1 (0.52) PDE10ALMNAMAPTRAB9AUSP2
SCHEMBL7831679 0.83 ALDH1A1 (0.44) PDE10ALMNAMAPTRAB9AUSP2
SCHEMBL1163069 0.81 RAB9A (0.46) PDE10ALMNAMAPTRAB9AUSP2
SCHEMBL7831695 0.81 ALDH1A1 (0.47) PDE10ALMNAMAPTRAB9AUSP2
SCHEMBL18306493 0.79 RAB9A (0.45) PDE10ALMNAMAPTRAB9AUSP2
SCHEMBL1162865 0.79 RAB9A (0.44) PDE10ALMNAMAPTRAB9AUSP2
SCHEMBL12775982 0.79 MEN1 (0.44) PDE10ALMNAMAPTRAB9AUSP2
SCHEMBL12724874 0.79 TP53 (0.56) PDE10ALMNAMAPTRAB9AUSP2
SCHEMBL8108669 0.76 RAB9A (0.44) PDE10APDE4BLMNARAB9AUSP2
SCHEMBL14417415 0.75 TP53 (0.53) PDE10APDE4APDE4BPDE4CPDE4D

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 7 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-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
US-5215994-A Treating or preventing hypertension or heart failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-01 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-20140163008-A1 DIBENZOOXEPIN DERIVATIVE PPARA, PPARG, PPARD PDE10A 3316/4885PDE4A 1095/4885PDE4B 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.