SCHEMBL6798561

SCHEMBL6798561

O=C(Nc1cccc(-n2c(=O)c(CC(=O)c3ncc[nH]3)nc3cccnc32)c1)c1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
NR1H4 Q96RI1 3/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
PARP1 P09874 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
EGFR P00533 2/20 0.36
BTK Q06187 2/20 0.36
ENPP2 Q13822 1/20 0.36
ITK Q08881 1/20 0.36
MET P08581 1/20 0.36

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
SCHEMBL6955008 0.88 EGFR (0.40) TP53NR1H4PPARGPPARDPPARA
SCHEMBL6801167 0.83 EGFR (0.49) TP53NR1H4PPARGPPARDPPARA
SCHEMBL6792069 0.82 NPC1 (0.44) TP53NR1H4PPARGPPARDPPARA
SCHEMBL6798559 0.81 NPC1 (0.39) TP53NR1H4PPARGPPARDPPARA
SCHEMBL6795984 0.80 EGFR (0.47) NR1H4PPARGPPARDPPARANPC1
Hydrochloric Acid SCHEMBL6796791 0.80 EGFR (0.46) NR1H4PPARGPPARDPPARANPC1
SCHEMBL6955003 0.80 TNIK (0.41) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL6794158 0.76 SIRT2 (0.47) NR1H4PPARGPPARDPPARANPC1
SCHEMBL6796619 0.76 PDE4B (0.40) TP53RXFP1EGFRBTKITK
SCHEMBL6796777 0.75 EGFR (0.49) TP53RXFP1PARP1KDM4EEGFR

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 TP53 3947/4885NR1H4 135/4885PPARG 186/4885

“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.