SCHEMBL6804659

SCHEMBL6804659

Nc1cccc(Oc2nccc(-c3ccccc3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
HTT P42858 1/20 0.54
MAOB P27338 2/20 0.51
ASIC3 Q9UHC3 1/20 0.49
AURKA O14965 1/20 0.49
HSP90AA1 P07900 1/20 0.49
PRKACA P17612 1/20 0.49
ADORA2A P29274 1/20 0.49
HPGD P15428 3/20 0.46
GLA P06280 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
PDE10A Q9Y233 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CDK5 Q00535 2/20 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
SCHEMBL5119715 0.85 MEN1 (0.57) MEN1KMT2AHTTAURKAHSP90AA1
SCHEMBL6796612 0.80 IKBKB (0.47) MEN1KMT2AHTTPRKACAMAPT
SCHEMBL667593 0.79 AURKA (0.57) MEN1KMT2AHTTASIC3AURKA
SCHEMBL2717081 0.78 MEN1 (0.62) MEN1KMT2AHTTMAOBHSP90AA1
SCHEMBL6797231 0.78 ABCG2 (0.53) MEN1KMT2AHTTSMN1; SMN2MAPT
SCHEMBL22347307 0.75 MEN1 (0.59) MEN1KMT2AHTTAURKAPRKACA
SCHEMBL28458368 0.74 MAOB (0.63) MEN1KMT2AMAOBHSP90AA1POLB
SCHEMBL27116353 0.74 PIK3CA (0.51) MEN1KMT2AHTTHPGDGLA
SCHEMBL31571660 0.72 MAPK1 (0.46) MEN1KMT2AMAOBASIC3HPGD
SCHEMBL30679410 0.72 MAOB (0.56) MEN1KMT2AMAOBASIC3HSP90AA1

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 MEN1 2703/4885KMT2A 968/4885HTT 643/4885

“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.