SCHEMBL6797217

SCHEMBL6797217

CCC(C)c1nc2cccnc2n(-c2cccc(-c3ccccc3)c2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.40
PDE4D Q08499 6/20 0.40
PDE4A P27815 5/20 0.40
PDE4C Q08493 5/20 0.40
PDE10A Q9Y233 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
PABPC1 P11940 1/20 0.39
AKT1 P31749 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 3/20 0.37
BRD4 O60885 1/20 0.37
TP53 P04637 2/20 0.37

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
SCHEMBL6793627 0.82 PDE4B (0.41) PDE4BPDE4DPDE4APDE4CPDE10A
SCHEMBL6797775 0.81 CYP1A2 (0.53) PDE4BPDE4DPDE10ARXFP1MEN1
SCHEMBL6793175 0.79 CYP1A2 (0.56) PDE10AMEN1KMT2AALDH1A1TSHR
SCHEMBL8794050 0.79 PDE4A (0.50) PDE4BPDE4DPDE4APDE4CPDE10A
SCHEMBL6805376 0.78 PDE10A (0.42) PDE4BPDE4DPDE4APDE4CPDE10A
SCHEMBL6798463 0.77 ALDH1A1 (0.45) PDE4BPDE4DPDE4APDE4CPDE10A
SCHEMBL6793208 0.74 HDAC6 (0.46) PDE4BPDE4DPDE4APDE4CPDE10A
SCHEMBL6798163 0.74 MAPT (0.45) PDE4BPDE4DPDE4APDE4CPDE10A
SCHEMBL14947873 0.73 AKT1 (0.51) PDE4BPDE4DMEN1KMT2AAKT1
SCHEMBL6797019 0.73 MAPT (0.48) PDE4BPDE4DPDE4APDE4CPDE10A

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 PDE4B 3918/4885PDE4D 4569/4885PDE4A 4399/4885

“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.