Sugi Predict

Sugi Predict / Compounds / SCHEMBL6794776

SCHEMBL6794776

SCHEMBL6794776

O=c1c(Cc2ccc[n+]([O-])c2)nc2cccnc2n1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.39
▸ TSHR P16473 7/20 0.39
▸ CYP2C19 P33261 7/20 0.39
▸ USP2 O75604 6/20 0.39
▸ CYP1A2 P05177 6/20 0.39
▸ CYP3A4 P08684 6/20 0.39
▸ CYP2C9 P11712 6/20 0.39
▸ CYP2D6 P10635 4/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ AKT1 P31749 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ EGFR P00533 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ ITK Q08881 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ MEN1 O00255 2/20 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
SCHEMBL7487412 0.92 AKT1 (0.37) ALDH1A1TSHRCYP2C19USP2CYP1A2
SCHEMBL6798463 0.89 ALDH1A1 (0.45) ALDH1A1TSHRCYP2C19USP2CYP1A2
SCHEMBL7366554 0.86 EGFR (0.41) CYP2C9AKT1EGFRBTKITK
SCHEMBL6798163 0.85 MAPT (0.45) ALDH1A1TSHRCYP2C19USP2CYP1A2
SCHEMBL7358579 0.85 EGFR (0.34) ALDH1A1TSHRCYP2C19USP2CYP1A2
SCHEMBL8068506 0.85 EGFR (0.34) ALDH1A1TSHRCYP2C19USP2CYP1A2
SCHEMBL6797019 0.84 MAPT (0.48) ALDH1A1TSHRCYP2C19USP2CYP1A2
SCHEMBL7365553 0.84 EGFR (0.33) ALDH1A1TSHRCYP2C19USP2CYP1A2
SCHEMBL8067546 0.84 EGFR (0.33) ALDH1A1TSHRCYP2C19USP2CYP1A2
SCHEMBL6793970 0.83 MAPT (0.48) ALDH1A1TSHRCYP2C19USP2CYP1A2

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 ALDH1A1 339/4885TSHR 916/4885CYP2C19 125/4885

“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.