SCHEMBL2867172

SCHEMBL2867172

COc1cc2[nH]c(=O)c(C#N)c(Cl)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 5/20 0.50
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50
GRIN3A Q8TCU5 2/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
IDH1 O75874 2/20 0.44
MPO P05164 2/20 0.43
XDH P47989 2/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4741686 0.84 GRIN2D (0.51) ALDH1A1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL31167339 0.80 KCNH2 (0.48) ALDH1A1IDH1HSD17B10PDE9A
SCHEMBL20870562 0.78 PDE9A (0.60) PDE9A
SCHEMBL31554393 0.77 GRIN2D (0.55) ALDH1A1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL27804543 0.75 PDE3B (0.61) ALDH1A1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL359185 0.75 PDE9A (0.48) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL5529450 0.75 PDE9A (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL13025174 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL20870135 0.73 PDE9A (0.55) PDE9A
SCHEMBL24199985 0.72 PDE9A (0.58) KDM4EPDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
EP-1719771-A1 PYRAZOLOQUINOLONE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-11-08 EP 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-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof MAP3K20, MAP4K5, MAP4K3 ALDH1A1 2391/4885KDM4E 1057/4885GRIN2D 2421/4885

“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.