SCHEMBL20114469

SCHEMBL20114469

Sc1ccccc1-c1cn[nH]c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.55
AKT1 P31749 1/20 0.55
PDK2 Q15119 1/20 0.44
FEN1 P39748 2/20 0.43
IDO1 P14902 1/20 0.43
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
ILK Q13418 1/20 0.41
FYN P06241 1/20 0.41
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
PIM1 P11309 2/20 0.40
ROCK2 O75116 3/20 0.39
CLK2 P49760 1/20 0.38
HIPK1 Q86Z02 1/20 0.38
DYRK2 Q92630 1/20 0.38
HIPK2 Q9H2X6 1/20 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
SCHEMBL30823568 0.79 AKT2 (0.59) AKT2AKT1PDK2FEN1ADRA1D
SCHEMBL28552255 0.79 AKT2 (0.72) AKT2AKT1PDK2FEN1ADRA1D
SCHEMBL30823569 0.79 AKT2 (0.59) AKT2AKT1PDK2FEN1ADRA1D
SCHEMBL3911134 0.76 AKT2 (0.55) AKT2AKT1PDK2FEN1IDO1
SCHEMBL20511659 0.76 AKT2 (0.55) AKT2AKT1PDK2FEN1IDO1
SCHEMBL17641537 0.76 AKT2 (0.55) AKT2AKT1PDK2FEN1ADRA1D
SCHEMBL105445 0.76 AKT1 (0.55) AKT2AKT1PDK2FEN1IDO1
SCHEMBL20468195 0.76 AKT2 (0.55) AKT2AKT1PDK2FEN1IDO1
SCHEMBL541293 0.76 FEN1 (0.57) AKT2AKT1PDK2FEN1IDO1
SCHEMBL5380089 0.76 AKT1 (0.55) AKT2AKT1PDK2FEN1IDO1

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-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2019-08-06 US disclosed
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 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 (2 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-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS AKT2 120/4885AKT1 45/4885PDK2 2371/4885
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS AKT2 130/4885AKT1 53/4885PDK2 2949/4885

“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.