SCHEMBL16129266

SCHEMBL16129266

C=CC(=O)N1CC(N2CCN(C(=O)CNc3cc(C4CC4(F)F)c(Cl)cc3OC)CC2)C1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 6/20 0.60
▸ SHMT2 P34897 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ EGFR P00533 8/20 0.35
▸ ERBB2 P04626 3/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ FGFR1 P11362 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ LRRK2 Q5S007 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
SCHEMBL16121832 0.89 KRAS (0.63) KRASSHMT2GAAFGFR1FGFR2
SCHEMBL16099895 0.89 KRAS (0.77) KRAS
SCHEMBL31672354 0.89 KRAS (0.77) KRAS
SCHEMBL16122631 0.88 KRAS (0.76) KRASSHMT2GAAEGFRERBB2
SCHEMBL16122575 0.88 KRAS (0.47) KRASSHMT2GAAEGFR
SCHEMBL16122416 0.87 KRAS (0.61) KRASSHMT2GAAERBB2FGFR1
SCHEMBL16129267 0.86 KRAS (0.43) KRASSHMT2GAAEGFR
SCHEMBL22550951 0.86 KRAS (0.66) KRASSHMT2GAAJAK3
SCHEMBL16122893 0.85 KRAS (0.65) KRASSHMT2GAAEGFRERBB2
SCHEMBL16117861 0.84 KRAS (0.62) KRASSHMT2GAAEGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3401314-B1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-11-08 — — EP disclosed
US-10919850-B2 Covalent inhibitors of KRas G12C ARAXES PHARMA LLC (US) 2021-02-16 — — US disclosed
EP-3193851-B1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2020-10-21 — — EP disclosed
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2019-08-29 — — US disclosed
US-10273207-B2 Covalent inhibitors of kras G12C ARAXES PHARMA LLC (US) 2019-04-30 — — US disclosed
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 — — US disclosed
US-9926267-B2 Covalent inhibitors of K-Ras G12C ARAXES PHARMA LLC (US) 2018-03-27 — — US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 — — US disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 — — US disclosed
WO-2016044772-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2016-03-24 — — WO disclosed
WO-2014152588-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2014-09-25 — — WO 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 (6 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 1/4885SHMT2 2258/4885GAA 1747/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885SHMT2 2258/4885GAA 1747/4885
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS KRAS 1/4885SHMT2 1327/4885GAA 2526/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS KRAS 1/4885SHMT2 2258/4885GAA 1747/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS KRAS 1/4885SHMT2 1327/4885GAA 2526/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS KRAS 1/4885SHMT2 2258/4885GAA 1747/4885

“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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