SCHEMBL21543335

SCHEMBL21543335

CC(C)c1cc(Br)ccc1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 4/20 0.34
PTGES O14684 2/20 0.33
AKT2 P31751 1/20 0.33
CLK2 P49760 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
TRPV1 Q8NER1 7/20 0.33
AURKA O14965 1/20 0.31
HTT P42858 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CRHR1 P34998 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL30762783 1.00 HAVCR2 (0.34) HAVCR2PTGESAKT2CLK2DYRK1A
SCHEMBL30762709 0.85 KRAS (0.39) HAVCR2TRPV1
SCHEMBL21542680 0.85 KRAS (0.39) HAVCR2TRPV1
SCHEMBL26330391 0.83 KRAS (0.34) HTTALDH1A1
SCHEMBL21543106 0.82 NLRP3 (0.36) HAVCR2TRPV1
SCHEMBL30762695 0.82 NLRP3 (0.36) HAVCR2TRPV1
SCHEMBL20560733 0.76 MAPK13 (0.39) HAVCR2TRPV1ALDH1A1
SCHEMBL30762757 0.76 MAPK13 (0.39) HAVCR2TRPV1ALDH1A1
SCHEMBL30170691 0.76 TRPV1 (0.36) TRPV1HTTKDM4E
SCHEMBL20560380 0.76 TRPV1 (0.36) TRPV1HTTKDM4E

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 9 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS HAVCR2 3352/4885PTGES 3059/4885AKT2 110/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS HAVCR2 3352/4885PTGES 3059/4885AKT2 110/4885
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS HAVCR2 3352/4885PTGES 3059/4885AKT2 110/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS HAVCR2 3352/4885PTGES 3059/4885AKT2 110/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS HAVCR2 3352/4885PTGES 3059/4885AKT2 110/4885

“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.