SCHEMBL6804987

SCHEMBL6804987

O=[N+]([O-])c1cccnc1Nc1cccc(-c2cnc3ccccc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
MAPT P10636 1/20 0.46
ABCG2 Q9UNQ0 7/20 0.46
CYP2A6 P11509 1/20 0.45
PDE5A O76074 1/20 0.45
BIRC5 O15392 1/20 0.44
EGFR P00533 1/20 0.43
SYK P43405 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIK3CD O00329 2/20 0.43
MAP4K4 O95819 1/20 0.43
CSNK1G2 P78368 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43
ABCB1 P08183 1/20 0.43

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
SCHEMBL6797852 0.86 MAPT (0.50) MAPTABCG2EGFRALDH1A1MEN1
SCHEMBL1702473 0.85 MAPT (0.53) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6797321 0.85 MAPT (0.55) MAPTABCG2PDE5AEGFRALDH1A1
SCHEMBL6798323 0.84 MAPT (0.54) MAPTABCG2PDE5AEGFRALDH1A1
SCHEMBL6796955 0.82 ABCG2 (0.53) MAPTABCG2EGFRALDH1A1MEN1
SCHEMBL6797162 0.81 CYP2A6 (0.50) CNR1CNR2ABCG2CYP2A6BIRC5
SCHEMBL6798144 0.81 JAK2 (0.56) MAPTABCG2ALDH1A1MEN1KMT2A
SCHEMBL6795443 0.80 MAPT (0.53) MAPTABCG2EGFRALDH1A1MEN1
SCHEMBL7357488 0.80 MAPT (0.56) MAPTABCG2EGFRSYKALDH1A1
SCHEMBL6799781 0.80 ABCG2 (0.50) MAPTABCG2PDE5AALDH1A1MEN1

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 CNR1 4/4885CNR2 5/4885MAPT 4677/4885

“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.