SCHEMBL6797400

SCHEMBL6797400

COC(=O)C=Cc1cccc(Nc2ncccc2N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.56
SIRT2 Q8IXJ6 1/20 0.56
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
NQO1 P15559 1/20 0.44
TTR P02766 1/20 0.42
APP P05067 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 1/20 0.41
ABCG2 Q9UNQ0 4/20 0.41
ABCB1 P08183 3/20 0.41

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
SCHEMBL6797393 1.00 SIRT1 (0.56) SIRT1SIRT2KMT2AMEN1PKM
SCHEMBL6794745 0.93 SIRT2 (0.49) SIRT1SIRT2KMT2AMEN1PKM
SCHEMBL6794751 0.93 SIRT2 (0.49) SIRT1SIRT2KMT2AMEN1PKM
SCHEMBL7364788 0.93 SIRT2 (0.49) SIRT1SIRT2KMT2AMEN1PKM
SCHEMBL7364785 0.93 SIRT2 (0.49) SIRT1SIRT2KMT2AMEN1PKM
SCHEMBL7364781 0.93 SIRT2 (0.49) SIRT1SIRT2KMT2AMEN1PKM
SCHEMBL6792154 0.83 CYP3A4 (0.51) PKMMAPTLMNAABCG2ABCB1
SCHEMBL6792160 0.83 CYP3A4 (0.51) PKMMAPTLMNAABCG2ABCB1
SCHEMBL6804535 0.82 MAPT (0.50) SIRT1SIRT2KMT2AMEN1MAPK1
SCHEMBL6804532 0.82 MAPT (0.50) SIRT1SIRT2KMT2AMEN1MAPK1

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 SIRT1 892/4885SIRT2 325/4885KMT2A 968/4885

“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.