SCHEMBL16122575

SCHEMBL16122575

C=CC(=O)C1CC(N2CCN(C(=O)CNc3cc(C4CC4(F)F)c(Cl)cc3OC)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 4/20 0.47
▸ GAA P10253 1/20 0.38
▸ SHMT2 P34897 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ SCD O00767 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MELK Q14680 1/20 0.31
▸ EGFR P00533 2/20 0.31
▸ ALK Q9UM73 2/20 0.31
▸ TUBB4A P04350 1/20 0.30
▸ TUBB P07437 1/20 0.30
▸ TUBA3C P0DPH7 1/20 0.30
▸ TUBA1B P68363 1/20 0.30
▸ TUBA4A P68366 1/20 0.30
▸ TUBB4B P68371 1/20 0.30
▸ TUBB3 Q13509 1/20 0.30
▸ TUBB2A Q13885 1/20 0.30
▸ TUBB8 Q3ZCM7 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
SCHEMBL16122582 0.90 KRAS (0.59) KRASSCD
SCHEMBL16129266 0.88 KRAS (0.60) KRASGAASHMT2EGFR
SCHEMBL16129267 0.80 KRAS (0.43) KRASGAASHMT2EGFRALK
SCHEMBL31672354 0.78 KRAS (0.77) KRAS
SCHEMBL16099895 0.78 KRAS (0.77) KRAS
SCHEMBL16121832 0.77 KRAS (0.63) KRASGAASHMT2
SCHEMBL16122631 0.76 KRAS (0.76) KRASGAASHMT2MEN1KMT2A
SCHEMBL16122416 0.75 KRAS (0.61) KRASGAASHMT2
SCHEMBL15337756 0.74 KRAS (0.60) KRASGAAMEN1KMT2ASCD
SCHEMBL16122587 0.73 SMN1; SMN2 (0.39) MEN1KMT2AKDM4EMAPTTUBB4A

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-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 — — US disclosed
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2014-09-25 — — 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-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885GAA 1747/4885SHMT2 2258/4885

“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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