SCHEMBL6792631

SCHEMBL6792631

COC(=O)c1ccc(-c2cccc(Nc3ncccc3N)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.47
ROCK1 Q13464 1/20 0.46
ABCG2 Q9UNQ0 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
PLAU P00749 2/20 0.45
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
SRC P12931 1/20 0.45
HTT P42858 2/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
EGFR P00533 1/20 0.44
ABCC1 P33527 1/20 0.44
SLC2A1 P11166 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44

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
SCHEMBL6792401 0.92 ROCK1 (0.53) PDE5AROCK1ABCG2KDM4EMAPT
SCHEMBL6797385 0.87 ROCK1 (0.60) PDE5AROCK1ABCG2KDM4EMAPT
SCHEMBL6793608 0.85 CA12 (0.56) PDE5AROCK1ABCG2KDM4EMAPT
SCHEMBL6795494 0.82 SYK (0.54) ABCG2KDM4EMAPTHTTMAPK1
SCHEMBL6803111 0.82 MAPT (0.61) ABCG2MAPTMAPK1MEN1KMT2A
SCHEMBL6804452 0.81 CA12 (0.48) PDE5AROCK1ABCG2KDM4EMAPT
SCHEMBL8793234 0.81 ASH1L (0.49) PDE5AROCK1ABCG2KDM4EMAPT
SCHEMBL6795594 0.81 CA12 (0.49) ABCG2KDM4EMAPTABL1SRC
SCHEMBL30269605 0.81 CA12 (0.49) ABCG2KDM4EMAPTABL1SRC
SCHEMBL6800292 0.81 ABCG2 (0.55) ABCG2KDM4EMAPTMAPK1MEN1

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 10 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
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN 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
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN 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 PDE5A 4514/4885ROCK1 4423/4885ABCG2 44/4885

“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.