SCHEMBL20132932

SCHEMBL20132932

CNc1ncc(C)c(C(C)(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.33
NUDT1 P36639 1/20 0.32
GRM5 P41594 1/20 0.32
CDK1 P06493 1/20 0.31
KDR P35968 1/20 0.31
LRRK2 Q5S007 2/20 0.31
AURKA O14965 1/20 0.31
RPS6KA3 P51812 1/20 0.31
CCR9 P51686 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
SCHEMBL23222003 0.79 MAPK8 (0.38) KDRLRRK2AURKARPS6KA3
SCHEMBL15429596 0.77 P2RX3 (0.37) GRM5CDK1KDR
SCHEMBL21588003 0.75 JAK2 (0.48) EGFRCDK1KDRLRRK2AURKA
SCHEMBL26860463 0.75 HPGD (0.33) NUDT1
SCHEMBL24650191 0.74 LRRK2 (0.54) KDRLRRK2AURKA
SCHEMBL24650767 0.74 CDK1 (0.38) NUDT1CDK1KDR
SCHEMBL12638743 0.74 SORT1 (0.36) EGFRGRM5LRRK2AURKARPS6KA3
SCHEMBL14726084 0.74 NUDT1 (0.32) NUDT1
SCHEMBL24650202 0.73 MAPK1 (0.40)
SCHEMBL21341302 0.72 NUDT1 (0.32) NUDT1

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-10377743-B2 Inhibitors of RAS and methods of use thereof ARAXES PHARMA LLC (US) 2019-08-13 US disclosed
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 (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-10377743-B2 Inhibitors of RAS and methods of use thereof KRAS, NRAS, HRAS EGFR 275/4885NUDT1 1171/4885GRM5 4202/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS EGFR 233/4885NUDT1 1446/4885GRM5 4196/4885

“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.