SCHEMBL6072771

SCHEMBL6072771

N#Cc1c(N)nc2cccc(F)c2c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.56
HSD17B10 Q99714 4/20 0.56
ADRA2A P08913 2/20 0.56
HTT P42858 1/20 0.56
CDK5 Q00535 2/20 0.53
DYRK1A Q13627 2/20 0.53
LMNA P02545 1/20 0.53
CDK5R1 Q15078 1/20 0.53
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 3/20 0.47
RXFP1 Q9HBX9 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL6072337 0.84 CDK5 (0.54) ADORA2AHSD17B10ADRA2AHTTCDK5
SCHEMBL5138973 0.84 CDK5 (0.51) ADORA2AHSD17B10ADRA2AHTTCDK5
SCHEMBL6072052 0.83 CDK5 (0.50) ADORA2AHSD17B10ADRA2AHTTCDK5
SCHEMBL4436700 0.79 ADORA2A (0.60) ADORA2AHSD17B10ADRA2AHTTCDK5
SCHEMBL6072033 0.79 CDK5 (0.49) ADORA2AHSD17B10ADRA2AHTTCDK5
SCHEMBL6071938 0.78 KDM4E (0.50) ADORA2AHSD17B10HTTCDK5DYRK1A
SCHEMBL7011406 0.77 ADORA2A (0.70) ADORA2AHSD17B10ADRA2AHTTCDK5
SCHEMBL6072774 0.76 ALDH1A1 (0.54) ADORA2AHSD17B10ADRA2AHTTKDM4E
SCHEMBL6072090 0.76 ADORA2A (0.56) ADORA2AHSD17B10ADRA2AHTTKDM4E
SCHEMBL27709601 0.75 ADORA2A (0.49) ADORA2AHSD17B10ADRA2AHTTCDK5

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 ADORA2A 2729/4885HSD17B10 4176/4885ADRA2A 3607/4885

“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.