SCHEMBL25669046

SCHEMBL25669046

Cc1cc(C)c2[nH]nc(N)c2c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ TYK2 P29597 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ IKBKB O14920 5/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ AURKA O14965 2/20 0.34
▸ ROCK2 O75116 2/20 0.34
▸ MAP4K4 O95819 2/20 0.34
▸ ROCK1 Q13464 2/20 0.34
▸ AURKB Q96GD4 2/20 0.34
▸ CLK4 Q9HAZ1 2/20 0.34
▸ MKNK2 Q9HBH9 2/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ DCLK1 O15075 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ MAPK13 O15264 1/20 0.34
▸ RPS6KA5 O75582 1/20 0.34

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
SCHEMBL25669048 0.83 PDPK1 (0.40) KITKDRJAK1TYK2JAK3
SCHEMBL25667667 0.83 KDR (0.37) KITKDRJAK1TYK2JAK3
SCHEMBL11745813 0.75 KDR (0.42) KITKDRJAK1TYK2JAK3
SCHEMBL14184928 0.72 ADORA1 (0.38) —
SCHEMBL14184930 0.72 KCNJ1 (0.30) —
SCHEMBL11577135 0.71 MAPT (0.42) KDRJAK2IKBKBFLT3MAP4K4
SCHEMBL14184929 0.71 HCAR2 (0.42) PRKAA1KMT2A
SCHEMBL16680720 0.69 GAA (0.49) KITKDRJAK1TYK2JAK3
SCHEMBL424795 0.69 PDPK1 (0.49) KITKDRJAK1TYK2JAK3
SCHEMBL2660353 0.68 PDPK1 (0.47) KITKDRJAK2FLT3AURKA

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 KIT 3570/4885KDR 2074/4885JAK1 876/4885

“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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