SCHEMBL6801946

SCHEMBL6801946

O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(-n2c(=O)c(Cc3cccnc3)nc3cccnc32)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
POLB P06746 2/20 0.53
HTT P42858 1/20 0.49
EGFR P00533 4/20 0.44
BTK Q06187 2/20 0.44
ITK Q08881 1/20 0.44
KMT2A Q03164 8/20 0.43
TDP1 Q9NUW8 2/20 0.43
TRPV1 Q8NER1 2/20 0.43
MEN1 O00255 6/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 4/20 0.42
HPGD P15428 2/20 0.42
MCHR1 Q99705 1/20 0.39

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
SCHEMBL6801939 1.00 MAPT (0.53) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6799436 0.90 EGFR (0.51) NPC1RAB9AEGFRBTKITK
SCHEMBL6799431 0.90 EGFR (0.51) NPC1RAB9AEGFRBTKITK
SCHEMBL6797362 0.87 EGFR (0.49) MAPTALDH1A1NPC1RAB9AEGFR
SCHEMBL6797360 0.87 EGFR (0.49) MAPTALDH1A1NPC1RAB9AEGFR
SCHEMBL6794724 0.86 EGFR (0.44) MAPTNPC1RAB9APOLBEGFR
SCHEMBL6794732 0.86 EGFR (0.44) MAPTNPC1RAB9APOLBEGFR
SCHEMBL6797330 0.86 EGFR (0.53) NPC1RAB9AEGFRBTKITK
SCHEMBL6797324 0.86 EGFR (0.53) NPC1RAB9AEGFRBTKITK
SCHEMBL7360146 0.86 EGFR (0.43) MAPTALDH1A1NPC1RAB9APOLB

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 6 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
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 MAPT 4677/4885ALDH1A1 339/4885SMN1; SMN2 3337/4885

“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.