SCHEMBL6797641

SCHEMBL6797641

Nc1cccnc1Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
MEN1 O00255 1/20 0.69
NPC1 O15118 1/20 0.69
MAPT P10636 1/20 0.69
RAB9A P51151 1/20 0.69
KMT2A Q03164 1/20 0.69
KCNH2 Q12809 1/20 0.69
ROCK1 Q13464 1/20 0.59
ABCG2 Q9UNQ0 12/20 0.57
EGFR P00533 2/20 0.55
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
ABL1 P00519 3/20 0.51
BCR P11274 3/20 0.51
PRKCA P17252 3/20 0.51
PDE5A O76074 1/20 0.51
SRC P12931 1/20 0.50

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
SCHEMBL31351895 0.83 ALDH1A1 (0.65) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL21069538 0.83 ALDH1A1 (0.65) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL5253023 0.83 ALDH1A1 (0.65) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL5249571 0.82 MAPT (1.00) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL5962635 0.81 ALDH1A1 (0.62) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL9402427 0.80 KMT2A (0.65) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL5250932 0.80 MEN1 (0.80) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL2285411 0.79 ABL1 (0.69) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL5250046 0.79 MEN1 (0.78) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL3604286 0.77 KMT2A (0.74) ALDH1A1MEN1NPC1MAPTRAB9A

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 10 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
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN 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
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN 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 339/4885MEN1 2703/4885NPC1 875/4885

“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.