SCHEMBL3286243

SCHEMBL3286243

Cn1c(=O)[nH]c2ccncc21

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.69
FEN1 P39748 1/20 0.51
LMNA P02545 2/20 0.47
RXFP1 Q9HBX9 1/20 0.44
PDE3B Q13370 3/20 0.43
PDE3A Q14432 3/20 0.43
MEN1 O00255 1/20 0.42
PABPC1 P11940 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
PGR P06401 2/20 0.42
ADORA2B P29275 1/20 0.41
TNKS O95271 2/20 0.40
PDE2A O00408 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP1 P09874 1/20 0.39
CHEK1 O14757 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
SCHEMBL4312246 0.85 DAO (0.50) DAOFEN1LMNARXFP1PDE3B
SCHEMBL9432790 0.82 DAO (0.56) DAOFEN1PDE3BPDE3AADORA3
SCHEMBL12506543 0.79 FEN1 (0.66) DAOFEN1LMNAMEN1PABPC1
SCHEMBL18256005 0.79 PARP1 (0.44) DAORXFP1PDE3BPDE3AADORA3
SCHEMBL27438347 0.79 DAO (0.60) DAOFEN1PDE3BPDE3AMEN1
SCHEMBL14525299 0.78 DAO (0.64) DAOFEN1PDE3BPDE3AMEN1
SCHEMBL13068134 0.78 DAO (0.64) DAOFEN1PDE3BPDE3AMEN1
SCHEMBL2270268 0.77 CYP1A2 (0.60) DAOFEN1LMNAPDE3BPDE3A
SCHEMBL1128929 0.77 POLB (0.60) DAOFEN1PDE3BPDE3APGR
SCHEMBL31079712 0.77 POLB (0.60) DAOFEN1PDE3BPDE3APGR

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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-8071772-B2 Spirolactam bicyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 US disclosed
US-7714009-B2 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-20090325991-A1 Spirolactam Bicyclic CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-12-31 US disclosed
WO-2009050232-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
US-20070135452-A1 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-14 US 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 (3 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT DAO 1645/4885FEN1 2098/4885LMNA 3473/4885
US-20070135452-A1 Nitrogen-containing fused heterocyclic compounds NPY4R, NR4A3, NR3C2 DAO 852/4885FEN1 4468/4885LMNA 4410/4885
US-20090325991-A1 Spirolactam Bicyclic CGRP Receptor Antagonists BDKRB1, CALCRL, BDKRB2 DAO 4499/4885FEN1 4334/4885LMNA 460/4885

“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.