SCHEMBL20260214

SCHEMBL20260214

C=CC(=O)N1CCN(C(=O)CNc2cc(Cl)c(C)cc2Cl)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 7/20 0.61
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ TXK P42681 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ BTK Q06187 2/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ YAP1 P46937 1/20 0.35
▸ TEAD4 Q15561 1/20 0.35
▸ STAT3 P40763 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TET3 O43151 1/20 0.34
▸ FBXL19 Q6PCT2 1/20 0.34
▸ CXXC5 Q7LFL8 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ CXXC4 Q9H2H0 1/20 0.34
▸ KDM2A Q9Y2K7 1/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL16122615 0.95 KRAS (0.61) KRASGAAMAPTTXKJAK3
SCHEMBL20381549 0.91 KRAS (0.62) KRASGAAMAPTTXKJAK3
SCHEMBL16122609 0.90 KRAS (0.71) KRASGAAMAPTTXKJAK3
SCHEMBL16122362 0.90 KRAS (0.66) KRASGAARAB9ASTAT3KMT2A
SCHEMBL16122818 0.88 KRAS (0.75) KRASGAAMAPTTXKJAK3
SCHEMBL16122679 0.87 KRAS (0.57) KRASGAAMAPTTXKJAK3
SCHEMBL16122637 0.86 KRAS (0.72) KRASGAAKMT2ATET3FBXL19
SCHEMBL25936148 0.85 KRAS (0.55) KRASGAAMAPTNPC1RAB9A
SCHEMBL16122529 0.84 KRAS (0.54) KRASGAAMAPT
SCHEMBL16102509 0.82 KRAS (0.61) KRASGAAMAPTRAB9ASTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 — — 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-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885GAA 1747/4885MAPT 4316/4885

“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.

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