SCHEMBL7018672

SCHEMBL7018672

COc1nc(N)c(C#N)c(-c2ccccc2F)c1C#N

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.72
HSD17B10 Q99714 3/20 0.72
MAPK1 P28482 1/20 0.72
GSK3A P49840 1/20 0.60
GSK3B P49841 1/20 0.60
DYRK1A Q13627 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60
KDM4E B2RXH2 10/20 0.51
HPGD P15428 6/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 4/20 0.51
KMT2A Q03164 4/20 0.51
RXFP1 Q9HBX9 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ADORA2A P29274 2/20 0.49
ADORA1 P30542 2/20 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
SCHEMBL7022211 0.86 GSK3A (0.55) ALDH1A1HSD17B10MAPK1GSK3AGSK3B
SCHEMBL7024980 0.86 ALDH1A1 (0.67) ALDH1A1HSD17B10MAPK1GSK3AGSK3B
SCHEMBL7020855 0.84 GSK3A (0.64) ALDH1A1HSD17B10MAPK1GSK3AGSK3B
SCHEMBL7017342 0.84 ALDH1A1 (0.52) ALDH1A1HSD17B10MAPK1GSK3AGSK3B
SCHEMBL7019128 0.81 ALDH1A1 (0.79) ALDH1A1HSD17B10MAPK1GSK3AGSK3B
SCHEMBL7016411 0.81 ALDH1A1 (0.71) ALDH1A1HSD17B10MAPK1GSK3AGSK3B
SCHEMBL7022379 0.81 ALDH1A1 (0.71) ALDH1A1HSD17B10MAPK1GSK3AGSK3B
SCHEMBL7016509 0.80 ALDH1A1 (0.70) ALDH1A1HSD17B10MAPK1GSK3AGSK3B
SCHEMBL28383673 0.80 KDM4E (0.66) ALDH1A1HSD17B10GSK3AGSK3BDYRK1A
SCHEMBL6466813 0.80 GSK3A (0.62) ALDH1A1HSD17B10MAPK1GSK3AGSK3B

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-20030232860-A1 Medicine comprising dicyanopyridine derivative ASTELLAS PHARMA INC. (JP) 2003-12-18 US claimed
EP-1302463-A1 MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-16 EP claimed
US-20030232860-A1 Medicine comprising dicyanopyridine derivative ASTELLAS PHARMA INC. (JP) 2003-12-18 US disclosed
CN-1441783-A Drug containing dicyanopyridine derivative YAMANOUCHI PHARMA CO LTD (JP) 2003-09-10 CN 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 ALDH1A1 3292/4885HSD17B10 3642/4885MAPK1 2493/4885

“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.