SCHEMBL19948615

SCHEMBL19948615

CC(C)(C)OC(=O)N1CCN(c2nc(Cl)nc3c2CCN(C(=O)OCc2ccccc2)C3)C[C@@H]1CC#N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
KRAS P01116 14/20 0.41
VHL P40337 1/20 0.40
CDK7 P50613 1/20 0.40
CCNH P51946 1/20 0.40
MNAT1 P51948 1/20 0.40
SOS1 Q07889 1/20 0.40
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL19948333 0.97 PARP1 (0.42) PARP1KRASVHLCDK7CCNH
SCHEMBL19636880 0.97 PARP1 (0.42) PARP1KRASVHLCDK7CCNH
SCHEMBL19617189 0.97 PARP1 (0.42) PARP1KRASVHLCDK7CCNH
SCHEMBL30189044 0.97 PARP1 (0.42) PARP1KRASVHLCDK7CCNH
SCHEMBL25020723 0.93 PARP1 (0.45) PARP1KRASVHLCDK7CCNH
SCHEMBL29204772 0.91 PARP1 (0.42) PARP1KRASVHLCDK7CCNH
SCHEMBL29204775 0.91 PARP1 (0.42) PARP1KRASVHLCDK7CCNH
SCHEMBL19948826 0.90 PARP1 (0.45) PARP1KRASNR1H2NR1H3TMEM97
SCHEMBL19616821 0.90 PARP1 (0.47) PARP1NR1H2NR1H3TMEM97SIGMAR1
SCHEMBL19637846 0.90 PARP1 (0.47) PARP1NR1H2NR1H3TMEM97SIGMAR1

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
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 CN disclosed
US-20240140957-A1 BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF BEONE MEDICINES I GMBH (CH) 2024-05-02 US 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-115201485-A Methods of measuring KRAS protein inhibition 百济神州(北京)生物科技有限公司 2022-10-18 CN 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-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

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 1128/4885KRAS 1/4885VHL 4/4885
US-10633381-B2 KRas G12C inhibitors KRAS, NRAS, HRAS PARP1 1128/4885KRAS 1/4885VHL 4/4885
US-20200262837-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PARP1 1128/4885KRAS 1/4885VHL 4/4885
US-10125134-B2 KRas G12C inhibitors KRAS, NRAS, HRAS PARP1 1128/4885KRAS 1/4885VHL 4/4885
US-10689377-B2 KRas G12C inhibitors KRAS, NRAS, HRAS PARP1 1128/4885KRAS 1/4885VHL 4/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PARP1 1128/4885KRAS 1/4885VHL 4/4885
US-20240140957-A1 BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF KRAS, NRAS, G3BP1 PARP1 529/4885KRAS 1/4885VHL 74/4885
US-20180072723-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PARP1 1128/4885KRAS 1/4885VHL 4/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PARP1 1128/4885KRAS 1/4885VHL 4/4885

“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.