SCHEMBL6071637

SCHEMBL6071637

Cc1c(C#N)c(N)nc2cccc(-c3nc[nH]n3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
KDM4E B2RXH2 8/20 0.39
HPGD P15428 4/20 0.39
DYRK1A Q13627 4/20 0.38
HSD17B10 Q99714 7/20 0.36
ADORA2A P29274 4/20 0.35
ADRA2A P08913 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
ADORA1 P30542 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 2/20 0.34
CASP1 P29466 2/20 0.34
KMT2A Q03164 2/20 0.34
BLM P54132 1/20 0.34
ADORA2B P29275 2/20 0.34
MAPK1 P28482 1/20 0.33
PIK3CD O00329 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL6071879 0.80 KDM4E (0.39) ALDH1A1KDM4EHPGDDYRK1AHSD17B10
SCHEMBL6072086 0.79 IDO1 (0.43) ALDH1A1KDM4EHPGDDYRK1AHSD17B10
SCHEMBL6071420 0.76 KDM4E (0.39) ALDH1A1KDM4EHPGDDYRK1AHSD17B10
SCHEMBL6071685 0.71 KDM4E (0.39) ALDH1A1KDM4EHPGDDYRK1AHSD17B10
SCHEMBL6434686 0.69 PIK3CA (0.43) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL30315435 0.66 KDM4E (0.56) ALDH1A1KDM4EHPGDHSD17B10ADORA2A
SCHEMBL6253855 0.66 KDM4E (0.56) ALDH1A1KDM4EHPGDHSD17B10ADORA2A
SCHEMBL6071597 0.65 IKBKB (0.47) PIK3CD
SCHEMBL6071832 0.64 CYP1A2 (0.35) ALDH1A1KDM4EHPGDDYRK1AHSD17B10
SCHEMBL27859305 0.64 ESR2 (0.41) ALDH1A1HPGDHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 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 (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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 ALDH1A1 3975/4885KDM4E 1032/4885HPGD 2056/4885

“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.