SCHEMBL21542783

SCHEMBL21542783

Cc1cccc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KRAS P01116 5/20 0.38
TRPV1 Q8NER1 3/20 0.37
MAPK13 O15264 4/20 0.36
MAPK12 P53778 4/20 0.36
MAPK11 Q15759 4/20 0.36
MAPK14 Q16539 4/20 0.36
LMNA P02545 1/20 0.34
MET P08581 1/20 0.32
TNKS O95271 2/20 0.32
TNKS2 Q9H2K2 2/20 0.32
PARP2 Q9UGN5 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL29700725 1.00 KRAS (0.38) KRASTRPV1MAPK13MAPK12MAPK11
SCHEMBL21543288 0.90 MAPK13 (0.38) KRASTRPV1MAPK13MAPK12MAPK11
SCHEMBL30762794 0.90 MAPK13 (0.38) KRASTRPV1MAPK13MAPK12MAPK11
SCHEMBL29700616 0.90 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL24474404 0.90 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL20560733 0.89 MAPK13 (0.39) KRASTRPV1MAPK13MAPK12MAPK11
SCHEMBL30762757 0.89 MAPK13 (0.39) KRASTRPV1MAPK13MAPK12MAPK11
SCHEMBL23408978 0.85 KRAS (0.37) KRASTRPV1
SCHEMBL24474374 0.85 MAPK13 (0.38) KRASMAPK13MAPK12MAPK11MAPK14
SCHEMBL23460335 0.84 NLRP3 (0.35) TRPV1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-4101852-A1 PYRIDOPYRIMIDINONE COMPOUND AND APPLICATION THEREOF Bebetter Med Inc. (CN) 2022-12-14 EP disclosed
US-20220389013-A1 PYRIDOPYRIMIDINONE COMPOUNDS AND APPLICATIONS THEREOF BEBETTER MED INC. (CN) 2022-12-08 US disclosed
WO-2022111521-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 杭州多域生物技术有限公司 2022-06-02 WO 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-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 (6 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-20220389013-A1 PYRIDOPYRIMIDINONE COMPOUNDS AND APPLICATIONS THEREOF KRAS, NRAS, HRAS KRAS 1/4885TRPV1 4134/4885MAPK13 143/4885
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KRAS 1/4885TRPV1 4825/4885MAPK13 962/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS KRAS 1/4885TRPV1 4825/4885MAPK13 962/4885
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KRAS 1/4885TRPV1 4825/4885MAPK13 962/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KRAS 1/4885TRPV1 4825/4885MAPK13 962/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS KRAS 1/4885TRPV1 4825/4885MAPK13 962/4885

“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.