SCHEMBL3898944

SCHEMBL3898944

N#Cc1nc2ccc(NCc3ccccc3)cc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.52
PTPN11 Q06124 1/20 0.52
ROCK2 O75116 1/20 0.49
MAP4K4 O95819 1/20 0.49
PRKCG P05129 1/20 0.49
LYN P07948 1/20 0.49
PRKACA P17612 1/20 0.49
RPS6KB1 P23443 1/20 0.49
AKT1 P31749 1/20 0.49
FLT3 P36888 1/20 0.49
CSNK1D P48730 1/20 0.49
CLK2 P49760 1/20 0.49
IRAK1 P51617 1/20 0.49
PRKX P51817 1/20 0.49
NEK4 P51957 1/20 0.49
PRKCD Q05655 1/20 0.49
ROCK1 Q13464 1/20 0.49
DYRK1A Q13627 1/20 0.49
PKN2 Q16513 1/20 0.49
HIPK4 Q8NE63 1/20 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
SCHEMBL19190687 0.86 RAB9A (0.52) CLK4HDAC1ABCB1ABCG2KDM4E
SCHEMBL12312888 0.86 MAP3K8 (0.46) PTPN1PTPN11ROCK2MAP4K4PRKCG
SCHEMBL3900134 0.85 ABCG2 (0.48) ROCK2MAP4K4PRKCGLYNPRKACA
SCHEMBL2868935 0.81 PTPN1 (0.55) PTPN1PTPN11ROCK2MAP4K4PRKCG
SCHEMBL1455414 0.80 APP (0.43) CSNK1DDYRK1AKDM4EGAAKMT2A
SCHEMBL22585064 0.80 NPC1 (0.48) CSNK1DHDAC1ABCB1ABCG2KDM4E
SCHEMBL3902789 0.80 NPC1 (0.48) CSNK1DHDAC1ABCB1ABCG2KDM4E
SCHEMBL20485970 0.78 CA1 (0.45) DYRK1AKDM4EGAAPOLBKMT2A
SCHEMBL15927533 0.77 GAA (0.45) CSNK1DDYRK1ADHFRKDM4EGAA
SCHEMBL18266775 0.76 CHEK1 (0.37) CSNK1DKDM4EKMT2AMAPT

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-7524876-B2 Luciferase substrate; non-luminescent, but changes to a luminescent substrate due to molecular structural alteration in the presence of a target molecule; alkylation of amino group shifted emission to longer wavelength; useful for in vivo imaging THE UNIVERSITY OF TOKYO (JP) 2009-04-28 US disclosed
US-20070155806-A1 Novel luciferin derivatives THE UNIVERSITY OF TOKYO (JP) 2007-07-05 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-20070155806-A1 Novel luciferin derivatives GLB1, LUC7L2, RXFP1 PTPN1 4221/4885PTPN11 4366/4885ROCK2 3374/4885

“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.