SCHEMBL16122857

SCHEMBL16122857

O=C(CNc1c(Cl)ccc2nsnc12)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ HRH2 P25021 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ NISCH Q9Y2I1 1/20 0.45
▸ TP53 P04637 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ GAA P10253 3/20 0.42
▸ BLM P54132 1/20 0.42
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.37

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
SCHEMBL16117723 0.84 KRAS (0.47) ADRA2ALMNAADRA2BADRA2CHRH2
SCHEMBL19997129 0.81 BLM (0.42) TP53RAB9AALDH1A1GAABLM
SCHEMBL16122859 0.78 TP53 (0.55) ADRA2ALMNAADRA2BADRA2CHRH2
SCHEMBL16117708 0.77 CCNK (0.37) LMNATP53RAB9AALDH1A1GAA
SCHEMBL16122860 0.71 ALDH1A1 (0.55) LMNATP53RAB9AALDH1A1GAA
SCHEMBL20177322 0.70 GAA (0.36) GAA
SCHEMBL16117724 0.66 KRAS (0.54) LMNAGAAKMT2AMAPT
SCHEMBL10282674 0.65 POLB (0.58) RAB9AALDH1A1RXFP1KDM4E
Tizanidine SCHEMBL2472243 0.65 ADRA2A (0.80) ADRA2ALMNAADRA2BADRA2CHRH2
Tizanidine SCHEMBL2472595 0.65 ADRA2A (0.80) ADRA2ALMNAADRA2BADRA2CHRH2

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 8 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-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 ADRA2A 4496/4885LMNA 3439/4885ADRA2B 4319/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ADRA2A 4496/4885LMNA 3439/4885ADRA2B 4319/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ADRA2A 4496/4885LMNA 3439/4885ADRA2B 4319/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS ADRA2A 4496/4885LMNA 3439/4885ADRA2B 4319/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS ADRA2A 4496/4885LMNA 3439/4885ADRA2B 4319/4885

“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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