SCHEMBL7128438

SCHEMBL7128438

[c]1ncc2c(n1)-c1ccsc1CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
PIM1 P11309 1/20 0.45
PDGFRA P16234 1/20 0.45
PRKACA P17612 1/20 0.45
LTK P29376 1/20 0.45
GRK5 P34947 1/20 0.45
KDR P35968 1/20 0.45
MAP2K2 P36507 1/20 0.45
FLT3 P36888 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CDK8 P49336 1/20 0.45
CLK2 P49760 1/20 0.45

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
SCHEMBL148695 0.74 KDM4E (0.49) DYRK1AIKBKBDUSP10NOS2LMNA
SCHEMBL7576114 0.68 NOS2 (0.39) PLK4CHEK1AURKADAPK3PRKD3
SCHEMBL6810177 0.66 PLK4 (0.47) PLK4CHEK1AURKADAPK3PRKD3
SCHEMBL2708066 0.63 DRD4 (0.51) PLK4CHEK1AURKADAPK3PRKD3
SCHEMBL4584548 0.62 PLK4 (0.47) PLK4CHEK1AURKADAPK3PRKD3
SCHEMBL3075204 0.61 PLK4 (0.39) PLK4CHEK1AURKADAPK3PRKD3
SCHEMBL2762670 0.60 ADORA1 (0.58) CHEK1DAPK3LTKMAPK8CSNK1A1
SCHEMBL15219995 0.59 CES1 (0.50) PLK4CHEK1AURKADAPK3PRKD3
SCHEMBL111250 0.57
SCHEMBL4163843 0.56 METAP1 (0.46) PLK4CHEK1AURKADAPK3PRKD3

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-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US claimed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO claimed

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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 PLK4 4557/4885CHEK1 3216/4885AURKA 1633/4885

“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.