SCHEMBL6798003

SCHEMBL6798003

CC(=O)Nc1cccc(-c2cccc(N)c2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.80
NQO2 P16083 2/20 0.58
DDX3X O00571 1/20 0.58
MAP4K4 O95819 1/20 0.57
HSD17B1 P14061 1/20 0.56
HSD17B2 P37059 1/20 0.56
CYP1A2 P05177 1/20 0.56
HSD17B10 Q99714 1/20 0.56
FYN P06241 1/20 0.54
USP7 Q93009 1/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP17A1 P05093 1/20 0.54
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
MAPT P10636 1/20 0.52
CHEK2 O96017 1/20 0.52
MGLL Q99685 1/20 0.51

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
SCHEMBL374432 0.89 ALDH1A1 (1.00) ALDH1A1NQO2DDX3XCYP1A2HSD17B10
SCHEMBL29557251 0.89 ALDH1A1 (1.00) ALDH1A1NQO2DDX3XCYP1A2HSD17B10
SCHEMBL6796771 0.88 ALDH1A1 (0.67) ALDH1A1MAP4K4HSD17B10SMN1; SMN2CYP17A1
SCHEMBL4654909 0.88 ALDH1A1 (0.67) ALDH1A1NQO2MAP4K4HSD17B1HSD17B2
Hydrochloric Acid SCHEMBL2481626 0.87 ALDH1A1 (0.96) ALDH1A1NQO2DDX3XCYP1A2HSD17B10
SCHEMBL4189391 0.85 PIP4K2A (0.62) ALDH1A1NQO2MAP4K4FYNUSP7
SCHEMBL3786463 0.84 NQO2 (0.73) ALDH1A1NQO2HSD17B1HSD17B2CYP1A2
Formic Acid SCHEMBL11684985 0.83 ALDH1A1 (0.86) ALDH1A1DDX3XCYP1A2HSD17B10RAB9A
SCHEMBL28742509 0.83 HSD17B10 (0.66) ALDH1A1NQO2HSD17B1HSD17B2CYP1A2
SCHEMBL8577619 0.82 SMN1; SMN2 (0.70) ALDH1A1NQO2HSD17B1HSD17B2CYP1A2

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 9 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-0874845-B1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 EP disclosed
US-6117875-A Pyrido (2,3-B) pyrazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-12 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 339/4885NQO2 1132/4885DDX3X 3846/4885

“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.