SCHEMBL19296808

SCHEMBL19296808

CCC(=O)N1CCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)CC1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIT P10721 6/20 0.41
KRAS P01116 9/20 0.41
AKT1 P31749 3/20 0.41
HTT P42858 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL20340576 0.92 AKT1 (0.41) KITKRASAKT1HTTPDGFRB
SCHEMBL19296798 0.90 KIT (0.44) KITKRASAKT1PDGFRBPDGFRA
SCHEMBL16637078 0.89 KIT (0.41) KITKRASAKT1PDGFRBPDGFRA
SCHEMBL20340564 0.89 KIT (0.48) KITPDGFRBPDGFRA
SCHEMBL20340565 0.89 KIT (0.48) KITPDGFRBPDGFRA
SCHEMBL16646948 0.86 KRAS (0.51) KRAS
SCHEMBL16636857 0.86 KRAS (0.51) KRAS
SCHEMBL16636858 0.86 KRAS (0.51) KRAS
SCHEMBL29765783 0.86 KRAS (0.51) KRAS
SCHEMBL29765906 0.86 KRAS (0.51) KRAS

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 US disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 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-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS KRAS, NRAS, HRAS KIT 1512/4885KRAS 1/4885AKT1 415/4885
US-10011600-B2 Methods and compositions for inhibition of Ras KRAS, NRAS, HRAS KIT 1512/4885KRAS 1/4885AKT1 415/4885

“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.