SCHEMBL19948468

SCHEMBL19948468

COCC[C@H]1CN(c2nc(Cl)nc3c2CCN(C(=O)O)C3)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.37
IDH1 O75874 4/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
KRAS P01116 5/20 0.32
HDAC1 Q13547 1/20 0.32
PARP1 P09874 2/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
CYP8B1 Q9UNU6 1/20 0.32
UCHL1 P09936 1/20 0.31

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
SCHEMBL19948470 1.00 MTOR (0.37) MTORIDH1NR1H2NR1H3RAF1
SCHEMBL28504722 0.92 MTOR (0.38) MTORIDH1NR1H2NR1H3RAF1
SCHEMBL25021583 0.91 KRAS (0.35) MTORIDH1NR1H2NR1H3KRAS
SCHEMBL19959366 0.88 PARP1 (0.46) MTORNR1H2NR1H3HDAC1PARP1
SCHEMBL30188942 0.88 PARP1 (0.46) MTORNR1H2NR1H3HDAC1PARP1
SCHEMBL29039717 0.87 KRAS (0.40) MTORNR1H2NR1H3KRAS
SCHEMBL27210008 0.87 KRAS (0.40) MTORNR1H2NR1H3KRAS
SCHEMBL27230441 0.87 KRAS (0.40) MTORNR1H2NR1H3KRAS
SCHEMBL20974943 0.84 KRAS (0.48) KRAS
SCHEMBL20974947 0.84 KRAS (0.48) KRAS

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
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 CN disclosed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 EP disclosed
CN-111989321-A KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2020-11-24 CN disclosed
EP-3710439-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-09-23 EP disclosed
US-20200262837-A1 KRAS G12C INHIBITORS ARRAY BIOPHARMA INC. 2020-08-20 US disclosed
US-10689377-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-06-23 US disclosed
US-10633381-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-04-28 US disclosed
US-20190144444-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2019-05-16 US disclosed
US-10125134-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2018-11-13 US disclosed
US-20180072723-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2018-03-15 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 (8 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-20190144444-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS MTOR 1106/4885IDH1 296/4885NR1H2 1539/4885
US-10633381-B2 KRas G12C inhibitors KRAS, NRAS, HRAS MTOR 1106/4885IDH1 296/4885NR1H2 1539/4885
US-20200262837-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS MTOR 1106/4885IDH1 296/4885NR1H2 1539/4885
US-10125134-B2 KRas G12C inhibitors KRAS, NRAS, HRAS MTOR 1106/4885IDH1 296/4885NR1H2 1539/4885
US-10689377-B2 KRas G12C inhibitors KRAS, NRAS, HRAS MTOR 1106/4885IDH1 296/4885NR1H2 1539/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS MTOR 1106/4885IDH1 296/4885NR1H2 1539/4885
US-20180072723-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS MTOR 1106/4885IDH1 296/4885NR1H2 1539/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS MTOR 1106/4885IDH1 296/4885NR1H2 1539/4885

“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.