SCHEMBL7022211

SCHEMBL7022211

COc1nc(N)c(C#N)c(-c2c(F)cccc2F)c1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
DYRK1A Q13627 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
ALDH1A1 P00352 6/20 0.54
HSD17B10 Q99714 4/20 0.54
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 7/20 0.53
HPGD P15428 3/20 0.53
RXFP1 Q9HBX9 2/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ADORA1 P30542 3/20 0.51
ADORA2A P29274 2/20 0.51

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
SCHEMBL7018672 0.86 ALDH1A1 (0.72) GSK3AGSK3BDYRK1ACLK4ALDH1A1
SCHEMBL6466480 0.80 ADORA1 (0.63) GSK3AGSK3BDYRK1ACLK4ALDH1A1
SCHEMBL28383673 0.79 KDM4E (0.66) GSK3AGSK3BDYRK1ACLK4ALDH1A1
SCHEMBL7020855 0.79 GSK3A (0.64) GSK3AGSK3BDYRK1ACLK4ALDH1A1
SCHEMBL7019095 0.77 ADORA1 (0.60) GSK3AGSK3BDYRK1ACLK4ALDH1A1
SCHEMBL26632999 0.77 ADORA2A (0.60) GSK3AGSK3BDYRK1ACLK4ALDH1A1
SCHEMBL6461004 0.77 KDM4E (0.70) GSK3AGSK3BDYRK1ACLK4ALDH1A1
SCHEMBL7013904 0.76 KDM4E (0.58) GSK3AGSK3BDYRK1ACLK4ALDH1A1
SCHEMBL7022182 0.76 MAPK8 (0.47) CLK4ALDH1A1HSD17B10KDM4EHPGD
Hydrochloric Acid SCHEMBL7021740 0.75 KDM4E (0.68) GSK3AGSK3BDYRK1ACLK4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232860-A1 Medicine comprising dicyanopyridine derivative ASTELLAS PHARMA INC. (JP) 2003-12-18 US disclosed
EP-1302463-A1 MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-16 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-20030232860-A1 Medicine comprising dicyanopyridine derivative KCNN3, KCNN2, KCNN1 GSK3A 3645/4885GSK3B 3815/4885DYRK1A 744/4885

“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.