SCHEMBL21567347

SCHEMBL21567347

CCCN(CCC)CC(=O)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CA12 O43570 4/20 0.41
CA9 Q16790 4/20 0.41
CA2 P00918 2/20 0.41
CYP2D6 P10635 2/20 0.38
HPGD P15428 1/20 0.35
CACNA1B Q00975 1/20 0.35
KDM5A P29375 7/20 0.35
KDM4C Q9H3R0 6/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
ALOX15 P16050 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL20326303 0.91 ALDH1A1 (0.43) ALDH1A1CA12CA9CA2CYP2D6
SCHEMBL21794520 0.86 CYP2D6 (0.53) ALDH1A1CA12CA9CA2CYP2D6
SCHEMBL3700387 0.84 ALOX15 (0.50) ALDH1A1CA12CA9CA2CYP2D6
SCHEMBL20314986 0.83 ALDH1A1 (0.38) ALDH1A1CA12CA9CA2CYP2D6
SCHEMBL2028346 0.81 TDP1 (0.48) ALDH1A1CA12CA9CA2CYP2D6
SCHEMBL16782365 0.80 ALOX15 (0.46) ALDH1A1CYP2D6HPGDCACNA1BTSHR
SCHEMBL15308552 0.80 ALDH1A1 (0.46) ALDH1A1CA12CA9CA2HPGD
SCHEMBL14724734 0.79 ALDH1A1 (0.44) ALDH1A1CA12CA9CA2CYP2D6
SCHEMBL16510980 0.78 ALDH1A1 (0.50) ALDH1A1CA12CA9CYP2D6CACNA1B
SCHEMBL20334574 0.78 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4268898-A2 KRAS G12C INHIBITORS FOR TREATING CANCER Amgen Inc. (US) 2023-11-01 EP disclosed
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-02 US disclosed
US-11285135-B2 KRAS G12C inhibitors and methods of using the same 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-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2020-03-05 US disclosed
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2020-02-20 US disclosed
US-10519146-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2019-12-31 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 (7 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 ALDH1A1 4162/4885CA12 3290/4885CA9 1363/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS ALDH1A1 4162/4885CA12 3290/4885CA9 1363/4885
US-10519146-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS ALDH1A1 4162/4885CA12 3290/4885CA9 1363/4885
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 3939/4885CA12 3409/4885CA9 1561/4885
US-11285135-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS ALDH1A1 2150/4885CA12 3454/4885CA9 1354/4885
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4162/4885CA12 3290/4885CA9 1363/4885
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4155/4885CA12 3468/4885CA9 1501/4885

“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.