SCHEMBL6797162

SCHEMBL6797162

Nc1cccnc1Nc1cccc(-c2cnc3ccccc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
BIRC5 O15392 1/20 0.49
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
SYK P43405 2/20 0.46
PDE10A Q9Y233 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
MAP4K4 O95819 1/20 0.44
CSNK1G2 P78368 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
MAP4K5 Q9Y4K4 1/20 0.44
PIK3CD O00329 5/20 0.44
ABCG2 Q9UNQ0 3/20 0.43
GRM4 Q14833 1/20 0.43
MMP9 P14780 1/20 0.42
KDM1A O60341 1/20 0.42
PIK3CA P42336 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
SCHEMBL6798155 0.85 PDE10A (0.44) CNR1SYKPDE10AABCG2GRM4
SCHEMBL12994066 0.83 GRM4 (0.59) PDE10AGRM4
SCHEMBL6795594 0.83 CA12 (0.49) SYKPDE10APDGFRBABCG2
SCHEMBL30269605 0.83 CA12 (0.49) SYKPDE10APDGFRBABCG2
SCHEMBL6797836 0.82 CA12 (0.48) SYKPDE10APDGFRBABCG2
SCHEMBL6804987 0.81 CNR1 (0.47) CYP2A6BIRC5CNR1CNR2SYK
SCHEMBL2642013 0.79 MEN1 (0.55) CYP2A6CNR1SYKPDGFRBCLK4
SCHEMBL6798713 0.78 CA12 (0.47) CNR1SYKPDE10AABCG2
SCHEMBL6804249 0.78 ABCG2 (0.44) SYKPDE10AMAP4K4PIK3CDABCG2
SCHEMBL6798582 0.78 HDAC1 (0.52) PDGFRBMMP9

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 CYP2A6 49/4885BIRC5 4636/4885CNR1 4/4885

“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.