SCHEMBL6797611

SCHEMBL6797611

COc1ccccc1NC(=O)Nc1cccc(-n2c(=O)c(Cc3ccccc3[N+](=O)[O-])nc3cccnc32)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 1/20 0.41
PDGFRA P16234 1/20 0.41
KDR P35968 1/20 0.41
KMT2A Q03164 6/20 0.40
MAPT P10636 5/20 0.40
MEN1 O00255 5/20 0.40
BTK Q06187 2/20 0.40
EGFR P00533 1/20 0.40
ITK Q08881 1/20 0.40
AHR P35869 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL6798550 0.86 BTK (0.52) PIK3R2KMT2AMAPTMEN1BTK
SCHEMBL6794159 0.84 BTK (0.47) PIK3R2KMT2AMAPTMEN1BTK
SCHEMBL6796204 0.84 EGFR (0.45) PDGFRAKDRKMT2AMAPTMEN1
SCHEMBL6791497 0.84 AHR (0.51) PIK3R2KMT2AMAPTMEN1BTK
SCHEMBL6804034 0.83 MAPT (0.47) PIK3R2KMT2AMAPTMEN1BTK
SCHEMBL6797256 0.83 MAPT (0.49) PIK3R2KMT2AMAPTMEN1BTK
SCHEMBL6798878 0.81 EGFR (0.43) PDGFRAKDRKMT2AMAPTMEN1
SCHEMBL6793286 0.81 MAPT (0.45) PIK3R2KMT2AMAPTMEN1BTK
SCHEMBL6804319 0.80 TP53 (0.48) PIK3R2KMT2AMAPTMEN1AHR
SCHEMBL6797216 0.79 MAPT (0.43) PIK3R2MAPTBTKEGFRAHR

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 PIK3R2 343/4885PDGFRA 416/4885KDR 3027/4885

“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.