SCHEMBL7019672

SCHEMBL7019672

COc1nc(NC(C)=O)c(C#N)c(-c2cccs2)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
ALDH1A1 P00352 9/20 0.47
MAPT P10636 7/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 10/20 0.47
HPGD P15428 7/20 0.47
NPSR1 Q6W5P4 5/20 0.47
ADORA1 P30542 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
RXFP1 Q9HBX9 4/20 0.43
TSHR P16473 2/20 0.43
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
ADORA2A P29274 2/20 0.43

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
SCHEMBL7022182 0.79 MAPK8 (0.47) MAPK8MAPK9ALDH1A1MAPTKDM4E
SCHEMBL7013904 0.78 KDM4E (0.58) ALDH1A1MAPTHTTKDM4EHPGD
SCHEMBL7015455 0.77 ALDH1A1 (0.46) MAPK8MAPK9ALDH1A1MAPTHTT
SCHEMBL13514590 0.75 ALDH1A1 (0.58) MAPK8MAPK9ALDH1A1MAPTHTT
SCHEMBL6465015 0.74 MAPK8 (0.47) MAPK8MAPK9ALDH1A1MAPTHTT
SCHEMBL7021810 0.73 KISS1R (0.49) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL1145192 0.70 MAPK8 (0.69) MAPK8MAPK9KDM4ENPSR1ADORA1
SCHEMBL27569170 0.68 ADORA2A (0.57) MAPK8ALDH1A1MAPTHTTKDM4E
SCHEMBL6254259 0.67 ALDH1A1 (0.56) ALDH1A1MAPTHTTKDM4EHPGD
SCHEMBL7011446 0.67 ALDH1A1 (0.44) MAPK8MAPK9ALDH1A1MAPTKDM4E

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 MAPK8 2270/4885MAPK9 1947/4885ALDH1A1 3292/4885

“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.