SCHEMBL17800770

SCHEMBL17800770

C=CC(=O)N1CC(N2CCN(C(=O)OC(C)(C)C)CC2CC)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KRAS P01116 4/20 0.37
NR1H2 P55055 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TGM2 P21980 3/20 0.35
F13A1 P00488 2/20 0.35
TGM1 P22735 2/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JAK3 P52333 2/20 0.34
PARP1 P09874 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL16117973 0.90 NR1H2 (0.42) KRASNR1H2MEN1ALDH1A1MAPT
SCHEMBL16094196 0.84 SETD7 (0.38) KRASNR1H2MEN1ALDH1A1MAPT
SCHEMBL16093824 0.81 KRAS (0.38) KRASTGM2F13A1TGM1USP2
SCHEMBL16121827 0.78 USP2 (0.44) KRASNR1H2TGM2F13A1TGM1
SCHEMBL21302139 0.75 NR1H2 (0.40) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL16099877 0.75 NR1H2 (0.42) KRASNR1H2MEN1ALDH1A1MAPT
SCHEMBL24449830 0.74 PARP1 (0.50) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL20208672 0.74 NR1H2 (0.44) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL20208681 0.74 NR1H2 (0.44) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL3356491 0.73 USP2 (0.55) MEN1KMT2ATGM2F13A1TGM1

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-9926267-B2 Covalent inhibitors of K-Ras G12C ARAXES PHARMA LLC (US) 2018-03-27 US disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 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-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885NR1H2 3774/4885MEN1 2271/4885

“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.