SCHEMBL16117758

SCHEMBL16117758

C=CC(=O)N1CCN(C(=O)CNc2cc(-c3ccccc3C)c(Cl)cc2O)CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 14/20 0.64
▸ MAPT P10636 1/20 0.39
▸ SCD O00767 2/20 0.37
▸ P2RY12 Q9H244 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35

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
SCHEMBL16103636 0.92 KRAS (0.69) KRASSCD
SCHEMBL16122753 0.88 KRAS (0.55) KRASMAPTSCDP2RY12
SCHEMBL16117734 0.87 KRAS (0.48) KRASMAPTSCDHTR1AHTR1D
SCHEMBL16122354 0.87 KRAS (0.61) KRASMAPTSCD
SCHEMBL16122831 0.87 KRAS (0.68) KRASSCD
SCHEMBL16122804 0.85 KRAS (0.61) KRASMAPTSCD
SCHEMBL16122818 0.85 KRAS (0.75) KRASMAPTSCD
SCHEMBL16117770 0.85 KRAS (0.66) KRASMAPTSCD
SCHEMBL16117769 0.84 KRAS (0.62) KRASSCD
SCHEMBL16122609 0.83 KRAS (0.71) KRASMAPTSCD

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 12 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-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-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-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-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
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 1/4885MAPT 4316/4885SCD 3822/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885MAPT 4316/4885SCD 3822/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KRAS 1/4885MAPT 4316/4885SCD 3822/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS KRAS 1/4885MAPT 4316/4885SCD 3822/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS KRAS 1/4885MAPT 4316/4885SCD 3822/4885

“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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