SCHEMBL21250571

SCHEMBL21250571

CCSCc1c(C)ccc2[nH]nc(N)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 4/20 0.37
▸ GAA P10253 2/20 0.37
▸ CLK4 Q9HAZ1 4/20 0.35
▸ ROCK1 Q13464 3/20 0.35
▸ CDK5 Q00535 2/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ MAP2K1 Q02750 2/20 0.35
▸ KDR P35968 6/20 0.34
▸ KIT P10721 3/20 0.34
▸ FLT3 P36888 3/20 0.34
▸ LCK P06239 3/20 0.33
▸ CSF1R P07333 3/20 0.33
▸ LYN P07948 2/20 0.33
▸ SRC P12931 2/20 0.33
▸ FLT1 P17948 2/20 0.33
▸ BLK P51451 2/20 0.33
▸ FYN P06241 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ PRKACA P17612 4/20 0.33
▸ JAK2 O60674 3/20 0.33

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
SCHEMBL24322401 0.83 NOS2 (0.44) PDPK1GAACLK4ROCK1CDK5
SCHEMBL2660353 0.72 PDPK1 (0.47) PDPK1GAACLK4ROCK1CDK5
SCHEMBL22757498 0.70 ESR2 (0.38) FLT3CDK2
SCHEMBL15818464 0.69 KDR (0.45) PDPK1GAACLK4ROCK1CDK5
SCHEMBL16680879 0.69 PDPK1 (0.46) PDPK1GAACLK4ROCK1CDK5
SCHEMBL16680722 0.69 GAA (0.53) PDPK1GAACLK4ROCK1CDK5
SCHEMBL22349055 0.69 GAA (0.53) PDPK1GAACLK4ROCK1CDK5
SCHEMBL25702368 0.69 KDR (0.42) PDPK1GAACLK4ROCK1CDK5
SCHEMBL11749905 0.69 JAK2 (0.42) PDPK1GAACLK4ROCK1CDK5
SCHEMBL24854354 0.69 PDPK1 (0.38) PDPK1GAACLK4ROCK1CDK5

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-10377743-B2 Inhibitors of RAS and methods of use thereof ARAXES PHARMA LLC (US) 2019-08-13 — — 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-10377743-B2 Inhibitors of RAS and methods of use thereof KRAS, NRAS, HRAS PDPK1 1340/4885GAA 1372/4885CLK4 3368/4885

“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.

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