SCHEMBL21544320

SCHEMBL21544320

C=CC(=O)N1C[C@H](C)N(C(=O)O)C[C@H]1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
JAK3 P52333 13/20 0.36
JAK1 P23458 1/20 0.34
TEC P42680 1/20 0.34
TXK P42681 1/20 0.34
BLK P51451 1/20 0.34
BMX P51813 1/20 0.34
BTK Q06187 1/20 0.34
ITK Q08881 1/20 0.34
ERBB4 Q15303 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
SCHEMBL21544159 1.00 TSHR (0.41) TSHRMAPTGAASMN1; SMN2JAK3
SCHEMBL2033628 0.89
Dimethylamine SCHEMBL20515125 0.83 TSHR (0.43) TSHRMAPTGAASMN1; SMN2JAK3
SCHEMBL29942458 0.82 TSHR (0.54) TSHRMAPTGAASMN1; SMN2
SCHEMBL29942704 0.82 TSHR (0.54) TSHRMAPTGAASMN1; SMN2
SCHEMBL23323365 0.82 TSHR (0.39) TSHRMAPTGAASMN1; SMN2JAK3
SCHEMBL25976403 0.82 TSHR (0.39) TSHRMAPTGAASMN1; SMN2JAK3
SCHEMBL22969767 0.81 TSHR (0.38) TSHRMAPTGAASMN1; SMN2JAK3
SCHEMBL24660233 0.81 TSHR (0.38) TSHRMAPTGAASMN1; SMN2JAK3
SCHEMBL22969921 0.81 TSHR (0.38) TSHRMAPTGAASMN1; SMN2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790886-B1 KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2024-06-26 EP disclosed
EP-3802535-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2022-12-14 EP disclosed
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-09 US disclosed
US-20220153741-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-05-19 US disclosed
US-10988485-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-04-27 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-3790886-A1 KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2021-03-17 EP disclosed
US-20200030324-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2020-01-30 US disclosed
US-20190345169-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 US disclosed
WO-2019217691-A1 KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2019-11-14 WO 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-20200030324-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS TSHR 4516/4885MAPT 3991/4885GAA 2186/4885
US-20190345169-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS TSHR 4359/4885MAPT 4273/4885GAA 2321/4885
US-10988485-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS TSHR 4359/4885MAPT 4273/4885GAA 2321/4885
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS TSHR 4516/4885MAPT 3991/4885GAA 2186/4885
US-20220153741-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TSHR 4531/4885MAPT 3597/4885GAA 1445/4885

“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.