SCHEMBL16122609

SCHEMBL16122609

C=CC(=O)N1CCN(C(=O)CNc2cc(Cl)c(C)cc2O)CC1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 7/20 0.71
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TXK P42681 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ SCD O00767 2/20 0.35
▸ MELK Q14680 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CCR4 P51679 1/20 0.34
▸ YAP1 P46937 1/20 0.34
▸ TEAD4 Q15561 1/20 0.34
▸ EGLN1 Q9GZT9 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
SCHEMBL16122818 0.95 KRAS (0.75) KRASGAAMAPTTXKJAK3
SCHEMBL20260214 0.90 KRAS (0.61) KRASGAAMAPTTXKJAK3
SCHEMBL15337874 0.90 KRAS (0.82) KRASGAASCDMELKEGLN1
SCHEMBL16122615 0.88 KRAS (0.61) KRASGAAMAPTTXKJAK3
SCHEMBL20240049 0.87 KRAS (0.74) KRASSCD
SCHEMBL16117834 0.87 KRAS (0.74) KRASSCD
SCHEMBL20381549 0.86 KRAS (0.62) KRASGAAMAPTTXKJAK3
SCHEMBL16122742 0.86 KRAS (0.71) KRASGAASCDMELK
SCHEMBL16122674 0.86 KRAS (0.71) KRASGAASCDMELKEGLN1
SCHEMBL16122759 0.86 KRAS (0.91) KRASGAASCDMELKEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919850-B2 Covalent inhibitors of KRas G12C ARAXES PHARMA LLC (US) 2021-02-16 — — 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-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 — — US 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 (5 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 1747/4885MAPT 4316/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885GAA 1747/4885MAPT 4316/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885GAA 1747/4885MAPT 4316/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS KRAS 1/4885GAA 1747/4885MAPT 4316/4885
US-10273207-B2 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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