SCHEMBL21543791

SCHEMBL21543791

CC(C)c1ccccc1-n1c(=O)[nH]c(=O)c2ccncc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
PARP1 P09874 3/20 0.40
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
MAT2A P31153 1/20 0.38
HCAR1 Q9BXC0 1/20 0.38
KDM4C Q9H3R0 6/20 0.36
PDE10A Q9Y233 1/20 0.35
DAO P14920 3/20 0.35
KDM4A O75164 1/20 0.34
KDM5C P41229 1/20 0.34
KDM4D Q6B0I6 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
SCHEMBL30300398 1.00 KDM4E (0.40) KDM4EMAPTPARP1FAAHMGLL
SCHEMBL30300428 0.81 HCAR1 (0.39) KDM4EMAPTPARP1FAAHMGLL
SCHEMBL30300371 0.79 KRAS (0.38) FAAHMGLLMAT2AHCAR1KDM4C
SCHEMBL18865821 0.79 HCAR1 (0.41) KDM4EMAPTFAAHMGLLHCAR1
SCHEMBL29517993 0.72 FAAH (0.39) FAAHMGLLMAT2AHCAR1DAO
SCHEMBL20296746 0.72 FAAH (0.39) FAAHMGLLMAT2AHCAR1DAO
SCHEMBL30300195 0.72 MAPT (0.40) MAPTFAAHMGLLHCAR1
SCHEMBL18256005 0.70 PARP1 (0.44) PARP1KDM4CDAO
SCHEMBL21542680 0.70 KRAS (0.39) FAAHMGLLMAT2AHCAR1
SCHEMBL30762709 0.70 KRAS (0.39) FAAHMGLLMAT2AHCAR1

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
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
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-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
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

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 KDM4E 3093/4885MAPT 4138/4885PARP1 583/4885
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KDM4E 4105/4885MAPT 4273/4885PARP1 1522/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS KDM4E 4105/4885MAPT 4273/4885PARP1 1522/4885
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors KRAS, NRAS, HRAS KDM4E 3093/4885MAPT 4138/4885PARP1 583/4885
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KDM4E 4105/4885MAPT 4273/4885PARP1 1522/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KDM4E 4105/4885MAPT 4273/4885PARP1 1522/4885
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KDM4E 4110/4885MAPT 3991/4885PARP1 1856/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS KDM4E 4105/4885MAPT 4273/4885PARP1 1522/4885

“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.