SCHEMBL20132981

SCHEMBL20132981

Cc1ccc2[nH]nc(Cc3cc(C)c(C(C)C)c4c(N)n[nH]c34)c2c1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 5/20 0.33
▸ AURKA O14965 4/20 0.33
▸ TGFBR1 P36897 4/20 0.33
▸ AURKB Q96GD4 4/20 0.33
▸ ROCK1 Q13464 3/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ GAA P10253 1/20 0.30
▸ LCK P06239 1/20 0.30
▸ FYN P06241 1/20 0.30
▸ CSF1R P07333 1/20 0.30
▸ LYN P07948 1/20 0.30
▸ KIT P10721 1/20 0.30
▸ SRC P12931 1/20 0.30
▸ FLT1 P17948 1/20 0.30
▸ FLT4 P35916 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ BLK P51451 1/20 0.30

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
SCHEMBL19115759 0.78 PDPK1 (0.42) PDPK1AURKATGFBR1AURKBROCK1
SCHEMBL20132921 0.77 ROCK2 (0.33) PDPK1AURKATGFBR1AURKBROCK1
SCHEMBL23879998 0.74 ROCK1 (0.34) PDPK1AURKAAURKBROCK1CDK8
SCHEMBL27051467 0.73 — —
SCHEMBL25696168 0.72 MAP2K4 (0.33) —
SCHEMBL25696132 0.69 KDR (0.34) PDPK1AURKATGFBR1AURKBLCK
SCHEMBL23588974 0.67 CYP1A2 (0.33) —
SCHEMBL20132926 0.66 CHEK1 (0.41) PDPK1AURKATGFBR1AURKBROCK1
SCHEMBL25696136 0.65 MAPK1 (0.36) —
SCHEMBL22349087 0.64 MAPK1 (0.36) —

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-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-05-10 — — 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-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS PDPK1 1320/4885AURKA 2204/4885TGFBR1 3116/4885

“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.

Send feedback