SCHEMBL16122863

SCHEMBL16122863

COc1cc(Cl)c(C2(C)CC2)cc1NCC(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 2/20 0.61
▸ SHMT2 P34897 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CCNT1 O60563 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ SUV39H2 Q9H5I1 2/20 0.36
▸ PDE4B Q07343 1/20 0.35
▸ EGFR P00533 2/20 0.35
▸ ALK Q9UM73 2/20 0.35
▸ STS P08842 1/20 0.34
▸ PGK1 P00558 1/20 0.34
▸ EHMT2 Q96KQ7 1/20 0.33
▸ IL1B P01584 2/20 0.33
▸ P2RX7 Q99572 2/20 0.33
▸ KLKB1 P03952 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
SCHEMBL30642318 1.00 KRAS (0.61) KRASSHMT2GAACCNT1CDK9
SCHEMBL21458760 0.91 KRAS (0.74) KRASSTSIL1BP2RX7
SCHEMBL16099662 0.89 KRAS (0.65) KRASSHMT2GAA
SCHEMBL16122861 0.86 KRAS (0.81) KRASSHMT2GAAEGFR
SCHEMBL16093602 0.86 KRAS (0.46) KRASSHMT2GAACCNT1CDK9
SCHEMBL16102313 0.86 KRAS (0.46) KRASSHMT2GAACCNT1CDK9
SCHEMBL16093741 0.84 KRAS (0.45) KRASSHMT2GAACCNT1CDK9
SCHEMBL17835133 0.84 KRAS (0.45) KRASSHMT2GAACCNT1CDK9
SCHEMBL30642275 0.84 KRAS (0.48) KRASSHMT2GAACCNT1CDK9
SCHEMBL16098252 0.84 KRAS (0.48) KRASSHMT2GAACCNT1CDK9

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
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
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 (7 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 1/4885SHMT2 2258/4885GAA 1747/4885
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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