SCHEMBL19637846

SCHEMBL19637846

COCC1CN(c2nc(Cl)nc3c2CCN(C(=O)OCc2ccccc2)C3)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
TMEM97 Q5BJF2 7/20 0.41
SIGMAR1 Q99720 7/20 0.41
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
CXCR3 P49682 4/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.38
DPP4 P27487 1/20 0.37
MTOR P42345 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL19616821 1.00 PARP1 (0.47) PARP1TMEM97SIGMAR1NR1H2NR1H3
SCHEMBL19959366 0.93 PARP1 (0.46) PARP1TMEM97SIGMAR1NR1H2NR1H3
SCHEMBL30188942 0.93 PARP1 (0.46) PARP1TMEM97SIGMAR1NR1H2NR1H3
SCHEMBL19948615 0.90 PARP1 (0.46) PARP1TMEM97SIGMAR1NR1H2NR1H3
SCHEMBL28504722 0.88 MTOR (0.38) PARP1NR1H2NR1H3DPP4MTOR
SCHEMBL30189044 0.87 PARP1 (0.42) PARP1NR1H2NR1H3
SCHEMBL19636880 0.87 PARP1 (0.42) PARP1NR1H2NR1H3
SCHEMBL19948333 0.87 PARP1 (0.42) PARP1NR1H2NR1H3
SCHEMBL19617189 0.87 PARP1 (0.42) PARP1NR1H2NR1H3
SCHEMBL30655925 0.86 MTOR (0.42) PARP1TMEM97SIGMAR1NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-11267812-B2 KRAS G12C inhibitors Mirati Therapeutics, Inc. (US) 2022-03-08 US disclosed
EP-3458445-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2021-02-17 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
US-20180072723-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2018-03-15 US disclosed
WO-2017201161-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2017-11-23 WO 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 (9 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-20200262837-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PARP1 1128/4885TMEM97 3851/4885SIGMAR1 4812/4885
US-11267812-B2 KRAS G12C inhibitors KRAS, NRAS, HRAS PARP1 1128/4885TMEM97 3851/4885SIGMAR1 4812/4885
US-10125134-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-20240101553-A1 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.