SCHEMBL6794751

SCHEMBL6794751

COC(=O)C=Cc1cccc(-c2cccc(Nc3ncccc3N)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
ABCG2 Q9UNQ0 8/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
NQO1 P15559 1/20 0.41
IP6K1 Q92551 1/20 0.39
IP6K3 Q96PC2 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TTR P02766 1/20 0.39
APP P05067 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL6794745 1.00 SIRT2 (0.49) SIRT2SIRT1ABCG2KMT2AMEN1
SCHEMBL6797400 0.93 SIRT1 (0.56) SIRT2SIRT1ABCG2KMT2AMEN1
SCHEMBL6797393 0.93 SIRT1 (0.56) SIRT2SIRT1ABCG2KMT2AMEN1
SCHEMBL7364785 0.87 SIRT2 (0.49) SIRT2SIRT1ABCG2KMT2AMEN1
SCHEMBL7364781 0.87 SIRT2 (0.49) SIRT2SIRT1ABCG2KMT2AMEN1
SCHEMBL7364788 0.87 SIRT2 (0.49) SIRT2SIRT1ABCG2KMT2AMEN1
SCHEMBL6798393 0.84 MAPT (0.47) SIRT2SIRT1ABCG2KMT2AMEN1
SCHEMBL6798391 0.84 MAPT (0.47) SIRT2SIRT1ABCG2KMT2AMEN1
SCHEMBL6792401 0.79 ROCK1 (0.53) ABCG2KMT2AMEN1PKMMAPK1
SCHEMBL7367589 0.78 MMP1 (0.45)

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 SIRT2 325/4885SIRT1 892/4885ABCG2 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.