SCHEMBL6794983

SCHEMBL6794983

O=c1c(-c2ccc([N+](=O)[O-])cc2)nc2cccnc2n1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.56
HTT P42858 2/20 0.56
CYP1A2 P05177 12/20 0.52
USP2 O75604 10/20 0.52
MAPK1 P28482 5/20 0.52
CYP2C19 P33261 4/20 0.52
CYP2C9 P11712 3/20 0.52
CFTR P13569 1/20 0.52
HSD17B10 Q99714 7/20 0.50
CYP3A4 P08684 4/20 0.50
CYP2D6 P10635 3/20 0.50
CASP1 P29466 7/20 0.47
CASP7 P55210 7/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
HIF1A Q16665 3/20 0.46
KDM4E B2RXH2 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL10051895 0.84 ALDH1A1 (0.66) ALDH1A1HTTMAPK1CYP2C19POLB
SCHEMBL6793175 0.78 CYP1A2 (0.56) ALDH1A1CYP1A2USP2MAPK1CYP2C19
SCHEMBL2602422 0.75 ALDH1A1 (0.65) ALDH1A1HTTCYP2C19CYP2C9HSD17B10
SCHEMBL10188115 0.72 PDE4B (0.46) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL6798424 0.72 MET (0.42) ALDH1A1HTTCYP1A2USP2MAPK1
SCHEMBL6801649 0.72 PDE4A (0.51) ALDH1A1HTTCYP1A2USP2CYP2C19
SCHEMBL9431863 0.70 PDE4A (0.54) ALDH1A1HTTCYP2C19CYP2C9CYP3A4
SCHEMBL11491310 0.70 ADORA2A (0.53) ALDH1A1HTTCYP1A2CYP2C19CYP2C9
SCHEMBL804897 0.70 ALDH1A1 (0.60) ALDH1A1CYP2C19CYP2C9POLBMEN1
SCHEMBL2780593 0.70 PDE4B (0.52) ALDH1A1CYP1A2USP2MAPK1CYP2C19

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 339/4885HTT 643/4885CYP1A2 181/4885

“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.