SCHEMBL6793330

SCHEMBL6793330

Cc1nc2cccnc2n(-c2cccc(N3C(=O)CCC3=O)c2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 5/20 0.45
CYP1A2 P05177 5/20 0.45
HSD17B10 Q99714 4/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 2/20 0.45
PDE4B Q07343 6/20 0.43
PDE4D Q08499 6/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDE10A Q9Y233 1/20 0.42
CASP1 P29466 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C19 P33261 1/20 0.40
CASP7 P55210 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL6794097 0.83 NPSR1 (0.41) L3MBTL1ALDH1A1CYP1A2HSD17B10CYP3A4
SCHEMBL6797372 0.81 CYP1A2 (0.48) ALDH1A1CYP1A2HSD17B10CYP3A4CYP2C9
SCHEMBL6797046 0.81 ALDH1A1 (0.48) ALDH1A1CYP1A2HSD17B10CYP3A4CYP2C9
SCHEMBL6797775 0.81 CYP1A2 (0.53) ALDH1A1CYP1A2HSD17B10CYP3A4CYP2C9
SCHEMBL6798737 0.77 NPSR1 (0.37) L3MBTL1ALDH1A1CYP1A2HSD17B10CYP3A4
SCHEMBL6798715 0.77 NPSR1 (0.37) L3MBTL1ALDH1A1CYP1A2HSD17B10CYP3A4
SCHEMBL11392462 0.77 AKT1 (0.58) ALDH1A1CYP1A2HSD17B10CYP3A4CYP2C9
SCHEMBL6793070 0.76 AKT1 (0.52) ALDH1A1CYP1A2HSD17B10CYP3A4CYP2C9
SCHEMBL6796816 0.76 ALDH1A1 (0.54) L3MBTL1ALDH1A1PDE4BPDE4DHPGD
SCHEMBL6797777 0.75 ALDH1A1 (0.45) ALDH1A1CYP1A2HSD17B10CYP3A4CYP2C9

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 L3MBTL1 1987/4885ALDH1A1 339/4885CYP1A2 181/4885

“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.