SCHEMBL1701337

SCHEMBL1701337

Cc1ccc(-n2ncc3cc([N+](=O)[O-])ccc32)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.50
GLS O94925 1/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 6/20 0.43
LMNA P02545 2/20 0.43
DYRK3 O43781 1/20 0.41
ABL1 P00519 1/20 0.41
CDK1 P06493 1/20 0.41
CSF1R P07333 1/20 0.41
MET P08581 1/20 0.41
PDGFRB P09619 1/20 0.41
PHKG2 P15735 1/20 0.41
CDK2 P24941 1/20 0.41
MARK3 P27448 1/20 0.41
FLT4 P35916 1/20 0.41
MAPK8 P45983 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
CLK2 P49760 1/20 0.41

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
SCHEMBL1701303 0.85 GLS (0.48) KDRGLSKMT2AMEN1MAPT
SCHEMBL1701230 0.77 CHEK1 (0.46) MAPTCSNK1A1TAOK1CLK4IRAK4
SCHEMBL27929632 0.76 KDR (0.43) KDRGLSKMT2AMEN1MAPT
SCHEMBL1699257 0.73 MAPT (0.55) KDRKMT2AMEN1MAPTLMNA
SCHEMBL19969336 0.73 GLS (0.58) KDRGLSMAPTLMNAALDH1A1
SCHEMBL271762 0.73 GLS (0.62) KDRGLSKMT2AMEN1MAPT
SCHEMBL29661255 0.73 GLS (0.62) KDRGLSKMT2AMEN1MAPT
SCHEMBL27083852 0.73 GLS (0.52) KDRGLSKMT2AMEN1MAPT
SCHEMBL4572853 0.72 NR3C1 (0.56) GLSLMNAALDH1A1
SCHEMBL8522013 0.71 GLS (0.50) KDRGLSKMT2AMEN1MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9226921-B2 Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-05 US disclosed
US-8940758-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-27 US disclosed
US-8846713-B2 Fused heterocyclic compounds as phosphodiesterases (PDEs) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-30 US disclosed
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-11-14 US disclosed
US-8563575-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-22 US disclosed
US-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS CROSSWING INC. (CA) 2013-07-04 US disclosed
CN-103153995-A Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL 2013-06-12 CN disclosed
EP-2585462-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2013-05-01 EP disclosed
WO-2011163355-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 WO disclosed
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 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 (4 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-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A KDR 3480/4885GLS 1353/4885KMT2A 2378/4885
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A KDR 4102/4885GLS 1708/4885KMT2A 871/4885
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A KDR 4102/4885GLS 1708/4885KMT2A 871/4885
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A KDR 3480/4885GLS 1353/4885KMT2A 2378/4885

“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.