SCHEMBL6798424

SCHEMBL6798424

O=c1c(Cc2ccccc2[N+](=O)[O-])nc2cccnc2n1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.42
AR P10275 1/20 0.41
ALDH1A1 P00352 7/20 0.41
TSHR P16473 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
USP2 O75604 2/20 0.41
CYP2D6 P10635 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PDE4B Q07343 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
FGFR1 P11362 1/20 0.39
POLB P06746 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 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
SCHEMBL6794080 0.91 CES2 (0.38) METARALDH1A1TSHRCYP1A2
SCHEMBL6793595 0.82 USP2 (0.44) ALDH1A1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL6798166 0.80 ALDH1A1 (0.54) ALDH1A1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL6797611 0.78 PIK3R2 (0.41) ALDH1A1POLBMEN1KMT2AMAPK1
SCHEMBL6801649 0.78 PDE4A (0.51) ALDH1A1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL2408183 0.77 AR (0.51) METARALDH1A1TSHRCYP2C19
SCHEMBL6794015 0.75 AHR (0.45) ALDH1A1CYP3A4PDE4BPDE4APDE4C
SCHEMBL6796204 0.75 EGFR (0.45) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL6792339 0.74 CYP1A2 (0.70) ALDH1A1TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL6793498 0.73 USP2 (0.52) ALDH1A1TSHRCYP1A2CYP3A4CYP2C9

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 MET 1088/4885AR 7/4885ALDH1A1 339/4885

“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.