SCHEMBL6797625

SCHEMBL6797625

O=C(Nc1cccc(-n2c(=O)c(Cc3cccnc3)nc3cccnc32)c1)c1cc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
EGFR P00533 2/20 0.43
BTK Q06187 2/20 0.43
ITK Q08881 1/20 0.43
SENP1 Q9P0U3 4/20 0.42
SENP5 Q96HI0 3/20 0.42
SENP2 Q9HC62 3/20 0.42
APP P05067 1/20 0.39
TMIGD3 P0DMS9 1/20 0.39
ADORA1 P30542 1/20 0.39
STAT1 P42224 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HMOX1 P09601 1/20 0.38
HMOX2 P30519 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6797035 0.96 SIRT2 (0.42) SIRT2SIRT1SIRT3EGFRBTK
SCHEMBL6799786 0.86 EGFR (0.49) EGFRBTKITKHMOX1HMOX2
SCHEMBL6797776 0.85 NPC1 (0.46) EGFRBTKITKHMOX1HMOX2
SCHEMBL6795984 0.85 EGFR (0.47) SIRT2SIRT1SIRT3EGFRBTK
Hydrochloric Acid SCHEMBL6796791 0.84 EGFR (0.46) SIRT2SIRT1SIRT3EGFRBTK
SCHEMBL6956021 0.84 ALDH1A1 (0.47) SIRT2SIRT1SIRT3EGFRBTK
SCHEMBL6798795 0.84 EGFR (0.49) EGFRBTKITKAKT1GAA
SCHEMBL6798067 0.83 CYP11B2 (0.47) EGFRBTKITKHMOX1HMOX2
SCHEMBL6801992 0.83 EGFR (0.51) SIRT2SIRT1SIRT3EGFRBTK
SCHEMBL6796375 0.83 EGFR (0.46) EGFRBTKITKAKT1GAA

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 6 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
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 892/4885SIRT3 346/4885

“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.