SCHEMBL6804723

SCHEMBL6804723

O=[N+]([O-])c1cccnc1Nc1cccc(Nc2nc(-c3ccccc3)cs2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.60
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
RAB9A P51151 5/20 0.59
MAPT P10636 5/20 0.59
ALDH1A1 P00352 3/20 0.59
GAA P10253 1/20 0.59
NPC1 O15118 6/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALOX5 P09917 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.51
POLB P06746 1/20 0.51
BAZ1A Q9NRL2 1/20 0.50
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
TP53 P04637 1/20 0.49
VCP P55072 1/20 0.49
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP1B1 Q16678 1/20 0.49

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
SCHEMBL6797083 0.85 RAB9A (0.49) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL6798852 0.83 MAPT (0.49) CSNK2A1MEN1KMT2ARAB9AMAPT
SCHEMBL6796851 0.81 ALOX5 (0.59) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL6797321 0.81 MAPT (0.55) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL6798323 0.80 MAPT (0.54) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL6798593 0.79 CYP19A1 (0.53) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL6798244 0.78 MAPT (0.52) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL2177925 0.76 MAPT (0.69) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL6795443 0.76 MAPT (0.53) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL7170398 0.76 L3MBTL1 (0.80) CSNK2A1MEN1KMT2ARAB9AMAPT

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-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1250776-A Heterodicyclic compound derivatives 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 CSNK2A1 68/4885MEN1 2703/4885KMT2A 968/4885

“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.