SCHEMBL6804355

SCHEMBL6804355

COc1ccc2cc(-c3cccc(-n4c(=O)c(Cc5cccnc5)nc5cccnc54)c3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.47
CYP11B1 P15538 5/20 0.47
CYP19A1 P11511 3/20 0.47
CYP17A1 P05093 2/20 0.47
CYP2C9 P11712 5/20 0.44
CYP1A2 P05177 5/20 0.44
CYP3A4 P08684 5/20 0.44
USP2 O75604 4/20 0.44
CYP2C19 P33261 4/20 0.44
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.44
EGFR P00533 1/20 0.44
BTK Q06187 1/20 0.44
ITK Q08881 1/20 0.44
MAPT P10636 2/20 0.43
PDE10A Q9Y233 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 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
SCHEMBL6796737 0.90 MAPT (0.46) CYP11B2CYP11B1CYP19A1CYP17A1CYP2C9
SCHEMBL6796370 0.87 AKT1 (0.48) CYP2C9CYP1A2CYP3A4USP2CYP2C19
SCHEMBL7489258 0.86 CYP19A1 (0.52) CYP11B2CYP11B1CYP19A1CYP2C9CYP1A2
SCHEMBL6797019 0.86 MAPT (0.48) CYP11B2CYP11B1CYP2C9CYP1A2CYP3A4
SCHEMBL6793970 0.85 MAPT (0.48) CYP11B2CYP11B1CYP2C9CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6793114 0.85 MAPT (0.47) CYP11B2CYP11B1CYP2C9CYP1A2CYP3A4
SCHEMBL6798823 0.84 CYP2A6 (0.46) CYP2C9CYP1A2CYP3A4USP2CYP2C19
SCHEMBL6793249 0.84 GRM5 (0.44) CYP11B2CYP11B1CYP19A1ALDH1A1EGFR
SCHEMBL6792402 0.84 AKT1 (0.45) CYP11B2CYP11B1CYP19A1CYP17A1CYP2C9
SCHEMBL6795453 0.83 MAPT (0.45) CYP11B2CYP11B1CYP2C9CYP1A2CYP3A4

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 CYP11B2 28/4885CYP11B1 30/4885CYP19A1 488/4885

“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.