SCHEMBL6797035

SCHEMBL6797035

O=C(Nc1cccc(-c2cccc(-n3c(=O)c(Cc4cccnc4)nc4cccnc43)c2)c1)c1cc2ccccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
EGFR P00533 1/20 0.40
BTK Q06187 1/20 0.40
ITK Q08881 1/20 0.40
SENP1 Q9P0U3 3/20 0.40
SENP5 Q96HI0 2/20 0.40
SENP2 Q9HC62 2/20 0.40
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 3/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
APP P05067 1/20 0.38
SMO Q99835 1/20 0.37

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
SCHEMBL6797625 0.96 SIRT2 (0.45) SIRT2SIRT1SIRT3EGFRBTK
SCHEMBL6796159 0.87 RAB9A (0.49) EGFRBTKITKMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6791483 0.86 AKT1 (0.46) SIRT2EGFRBTKITKMAPT
SCHEMBL6794158 0.86 SIRT2 (0.47) SIRT2SIRT1SIRT3EGFRBTK
SCHEMBL6798942 0.85 EGFR (0.46) EGFRBTKITKMAPTSMN1; SMN2
SCHEMBL6796739 0.85 ABL1 (0.47) EGFRBTKITKMAPTSMN1; SMN2
SCHEMBL6801778 0.85 EGFR (0.45) EGFRBTKITKSMN1; SMN2KDM4E
SCHEMBL6801892 0.84 EGFR (0.44) EGFRBTKITKMAPTSMN1; SMN2
SCHEMBL6804831 0.83 NPC1 (0.44) EGFRBTKITKMAPTSMN1; SMN2
SCHEMBL7366456 0.83 IRAK4 (0.53) MAPTSMN1; SMN2MEN1LMNAHPGD

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.