SCHEMBL25668917

SCHEMBL25668917

Cc1c(I)ccc2[nH]nc(N)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 6/20 0.58
GAA P10253 2/20 0.44
MAP2K1 Q02750 2/20 0.41
KDR P35968 5/20 0.40
KIT P10721 3/20 0.40
FLT3 P36888 3/20 0.40
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
JAK2 O60674 8/20 0.38
ROCK1 Q13464 4/20 0.38
PRKACA P17612 3/20 0.38
LCK P06239 3/20 0.38
CSF1R P07333 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
FGFR1 P11362 2/20 0.38
AURKA O14965 2/20 0.38
CDK2 P24941 2/20 0.38
AURKB Q96GD4 2/20 0.38
MAP4K4 O95819 2/20 0.38
GSK3B P49841 2/20 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
SCHEMBL2660353 0.81 PDPK1 (0.47) PDPK1GAAMAP2K1KDRKIT
SCHEMBL24785172 0.81 PDPK1 (0.39) PDPK1DYRK1A
SCHEMBL15818216 0.78 KDR (0.45) PDPK1GAAMAP2K1KDRKIT
SCHEMBL25667724 0.78 GAA (0.58) PDPK1GAAMAP2K1KDRKIT
SCHEMBL25669174 0.75 PDPK1 (0.42) PDPK1GAAMAP2K1KDRKIT
SCHEMBL15818095 0.74 PDPK1 (0.41) PDPK1GAAMAP2K1KDRKIT
SCHEMBL29371666 0.73 PDPK1 (1.00) PDPK1GAAMAP2K1KDRKIT
SCHEMBL420988 0.73 PDPK1 (1.00) PDPK1GAAMAP2K1KDRKIT
SCHEMBL21662934 0.73 PDPK1 (0.44) PDPK1GAAMAP2K1KDRKIT
SCHEMBL16680722 0.70 GAA (0.53) PDPK1GAAMAP2K1KDRKIT

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-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 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-20230203018-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS PDPK1 1387/4885GAA 3195/4885MAP2K1 250/4885

“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.