SCHEMBL19959366

SCHEMBL19959366

COCC[C@H]1CN(c2nc(Cl)nc3c2CCN(C(=O)OCc2ccccc2)C3)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
TMEM97 Q5BJF2 8/20 0.40
SIGMAR1 Q99720 8/20 0.40
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
CXCR3 P49682 3/20 0.38
HDAC1 Q13547 1/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.37
DPP4 P27487 1/20 0.36
MTOR P42345 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
HRH2 P25021 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL30188942 1.00 PARP1 (0.46) PARP1TMEM97SIGMAR1NR1H2NR1H3
SCHEMBL19637846 0.93 PARP1 (0.47) PARP1TMEM97SIGMAR1NR1H2NR1H3
SCHEMBL19616821 0.93 PARP1 (0.47) PARP1TMEM97SIGMAR1NR1H2NR1H3
SCHEMBL19948615 0.89 PARP1 (0.46) PARP1TMEM97SIGMAR1NR1H2NR1H3
SCHEMBL19948468 0.88 MTOR (0.37) PARP1NR1H2NR1H3HDAC1MTOR
SCHEMBL19948470 0.88 MTOR (0.37) PARP1NR1H2NR1H3HDAC1MTOR
SCHEMBL22440404 0.86 KRAS (0.49)
SCHEMBL19948586 0.86 KRAS (0.49)
SCHEMBL19948582 0.86 KRAS (0.49)
SCHEMBL19617189 0.86 PARP1 (0.42) PARP1NR1H2NR1H3

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-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 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-20180072723-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2018-03-15 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 (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-20190144444-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PARP1 1128/4885TMEM97 3851/4885SIGMAR1 4812/4885
US-10633381-B2 KRas G12C inhibitors KRAS, NRAS, HRAS PARP1 1128/4885TMEM97 3851/4885SIGMAR1 4812/4885
US-10689377-B2 KRas G12C inhibitors KRAS, NRAS, HRAS PARP1 1128/4885TMEM97 3851/4885SIGMAR1 4812/4885
US-20180072723-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PARP1 1128/4885TMEM97 3851/4885SIGMAR1 4812/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PARP1 1128/4885TMEM97 3851/4885SIGMAR1 4812/4885

“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.