SCHEMBL13201561

SCHEMBL13201561

Cc1nc(C)n2c(N)nccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.38
CDK5 Q00535 2/20 0.38
CSNK1A1 P48729 2/20 0.38
LIMK1 P53667 2/20 0.38
DYRK1B Q9Y463 2/20 0.38
KDR P35968 2/20 0.38
ROCK1 Q13464 2/20 0.38
FGFR1 P11362 2/20 0.38
MAP2K2 P36507 2/20 0.38
MAPK9 P45984 2/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
RET P07949 1/20 0.38
PDGFRA P16234 1/20 0.38
PRKACA P17612 1/20 0.38
FLT3 P36888 1/20 0.38
MAPK8 P45983 1/20 0.38
CDK8 P49336 1/20 0.38
NEK2 P51955 1/20 0.38

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
SCHEMBL29756180 0.67 SMN1; SMN2 (0.42) CLK4CDK5CSNK1A1LIMK1DYRK1B
SCHEMBL15450971 0.67 NOS3 (0.34) MEN1KMT2AGAAMAPTNOS3
SCHEMBL12946375 0.64 MMP12 (0.50) CLK4CSNK1A1LIMK1DYRK1BROCK1
SCHEMBL13220586 0.63 CDK9 (0.58) CLK4CDK5CSNK1A1LIMK1DYRK1B
SCHEMBL15174271 0.61 RPS6KA5 (0.41) ADORA2AADORA2BADORA1RPS6KA5GAA
SCHEMBL3790456 0.60 ADORA2A (0.63) ADORA2AADORA2BADORA1NOS3NOS2
SCHEMBL19939421 0.60 DRD2 (0.36) ADORA2AADORA2BADORA1NOS3NOS2
SCHEMBL29376099 0.59 CSNK1D (0.38) CLK4CDK5CSNK1A1LIMK1DYRK1B
SCHEMBL24284159 0.58 RPS6KA5 (0.38) ROCK1CDK2ADORA2AADORA2BADORA1
SCHEMBL13945213 0.58 PDE10A (0.33) NOS3NOS2NOS1TSHR

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-7772231-B2 Substituted pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors ABBOTT LABORATORIES (US) 2010-08-10 US disclosed
US-20070203143-A1 PROTEIN KINASE INHIBITORS ABBVIE INC. 2007-08-30 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-20070203143-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 CLK4 517/4885CDK5 44/4885CSNK1A1 43/4885

“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.