SCHEMBL17030876

SCHEMBL17030876

CC(C)(C)OC(=O)N1CCN(c2nc(C(N)=O)nc3c(F)c(-c4cc(O)cc5ccccc45)ccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
GBA1 P04062 2/20 0.42
KIT P10721 2/20 0.41
KRAS P01116 4/20 0.40
GRIA1 P42261 1/20 0.39
TLR9 Q9NR96 4/20 0.39
TLR7 Q9NYK1 2/20 0.39
PDK2 Q15119 1/20 0.39
PARP1 P09874 1/20 0.39
BACE1 P56817 1/20 0.37
ACHE P22303 1/20 0.37
CXCR2 P25025 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37

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
SCHEMBL16636606 0.88 KRAS (0.53) SMARCA2SMARCA4PBRM1GBA1KIT
SCHEMBL29765860 0.88 KRAS (0.53) SMARCA2SMARCA4PBRM1GBA1KIT
SCHEMBL20109703 0.83 KRAS (0.44) SMARCA2SMARCA4PBRM1GBA1KIT
SCHEMBL25990876 0.78 GBA1 (0.47) SMARCA2SMARCA4PBRM1GBA1KIT
SCHEMBL20858007 0.76 TLR9 (0.41) SMARCA2SMARCA4PBRM1GBA1KIT
SCHEMBL16636866 0.75 KRAS (0.55) GBA1KRAS
SCHEMBL16637457 0.75 KCNH2 (0.40) SMARCA2SMARCA4PBRM1GBA1KIT
SCHEMBL29765694 0.75 KCNH2 (0.40) SMARCA2SMARCA4PBRM1GBA1KIT
SCHEMBL21458459 0.74 KRAS (0.51) GBA1KRAS
SCHEMBL21458461 0.74 KRAS (0.51) GBA1KRAS

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-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 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-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS SMARCA2 975/4885SMARCA4 1492/4885PBRM1 79/4885

“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.