SCHEMBL6794015

SCHEMBL6794015

O=c1c(Cc2c[nH]c3ccccc23)nc2cccnc2n1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
CCKBR P32239 1/20 0.43
GPR84 Q9NQS5 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6796162 0.79 MEN1 (0.51) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL6798166 0.79 ALDH1A1 (0.54) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL6793595 0.79 USP2 (0.44) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL9203141 0.76 NPC1 (0.64) CCKBRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL6798424 0.75 MET (0.42) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL6792339 0.73 CYP1A2 (0.70) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL6793498 0.72 USP2 (0.52) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL6794604 0.71 CYP1A2 (0.63) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL9209152 0.71 CCKBR (0.76) CCKBR
SCHEMBL1903251 0.70 KDM4E (0.61) AHRGPR84MEN1KMT2AALDH1A1

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
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 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-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 AHR 20/4885PDE4A 4399/4885PDE4B 3918/4885

“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.