SCHEMBL21542680

SCHEMBL21542680

CC(C)c1ccccc1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KRAS P01116 12/20 0.39
HCAR1 Q9BXC0 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
HAVCR2 Q8TDQ0 1/20 0.36
PDE9A O76083 2/20 0.35
PDE1C Q14123 1/20 0.35
MET P08581 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MAT2A P31153 1/20 0.34

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
SCHEMBL30762709 1.00 KRAS (0.39) KRASHCAR1FAAHMGLLHAVCR2
SCHEMBL20560380 0.90 TRPV1 (0.36) KRASHCAR1FAAHMGLLTRPV1
SCHEMBL30170691 0.90 TRPV1 (0.36) KRASHCAR1FAAHMGLLTRPV1
SCHEMBL24459984 0.89 KRAS (0.39) KRASHCAR1FAAHMGLLPDE9A
SCHEMBL30762783 0.85 HAVCR2 (0.34) HAVCR2TRPV1
SCHEMBL21543335 0.85 HAVCR2 (0.34) HAVCR2TRPV1
SCHEMBL21543672 0.84 HCAR1 (0.43) HCAR1HAVCR2
SCHEMBL20560733 0.83 MAPK13 (0.39) KRASHAVCR2TRPV1
SCHEMBL30762757 0.83 MAPK13 (0.39) KRASHAVCR2TRPV1
SCHEMBL21543083 0.82 KRAS (0.45) KRASFAAHMGLLMAT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors AMGEN INC. (US) 2024-09-10 US disclosed
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-02-15 US disclosed
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 EP disclosed
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 EP disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-12-15 US disclosed
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-12-15 US disclosed
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-09 US disclosed
US-11285156-B2 Substituted piperazines as KRAS G12C inhibitors AMGEN INC. (US) 2022-03-29 US disclosed
US-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 US disclosed
US-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 US disclosed
EP-3807276-A2 KRAS G12C INHIBITORS ENCOMPASSING A PIPERAZINE RING AND USE THEREOF IN THE TREATMENT OF CANCER Amgen Inc. (US) 2021-04-21 EP disclosed
EP-3788038-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME Amgen Inc. (US) 2021-03-10 EP disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 US disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 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-11285156-B2 Substituted piperazines as KRAS G12C inhibitors KRAS, NRAS, HRAS KRAS 1/4885HCAR1 2649/4885FAAH 2439/4885
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KRAS 1/4885HCAR1 3524/4885FAAH 1722/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS KRAS 1/4885HCAR1 3524/4885FAAH 1722/4885
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors KRAS, NRAS, HRAS KRAS 1/4885HCAR1 2649/4885FAAH 2439/4885
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KRAS 1/4885HCAR1 3524/4885FAAH 1722/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KRAS 1/4885HCAR1 3524/4885FAAH 1722/4885
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KRAS 1/4885HCAR1 3690/4885FAAH 1673/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS KRAS 1/4885HCAR1 3524/4885FAAH 1722/4885

“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.