SCHEMBL20314870

SCHEMBL20314870

CC(C)C(=O)C1=CCCNC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
SLC6A1 P30531 1/20 0.60
SLC6A13 Q9NSD5 1/20 0.60
BLM P54132 1/20 0.58
CHRM3 P20309 1/20 0.58
HTR2A P28223 1/20 0.31
FFAR1 O14842 1/20 0.31
PNMT P11086 1/20 0.30

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
SCHEMBL20314911 0.80 TSHR (0.39) TSHRSLC6A1SLC6A13BLMCHRM3
SCHEMBL9499237 0.78
SCHEMBL9569044 0.77 TSHR (0.72) TSHRSLC6A1SLC6A13BLMCHRM3
SCHEMBL19413480 0.77 TSHR (0.50) TSHRSLC6A1SLC6A13BLMCHRM3
Guvacine SCHEMBL336053 0.75
SCHEMBL6215781 0.74
SCHEMBL18808188 0.74
Guvacine SCHEMBL9569008 0.74 TSHR (0.96) TSHRSLC6A1SLC6A13BLMCHRM3
Guvacine SCHEMBL1057880 0.74 BLM (1.00) TSHRSLC6A1SLC6A13BLMCHRM3
SCHEMBL9497394 0.73 TSHR (0.60) TSHRSLC6A1SLC6A13BLMCHRM3

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
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-02 US disclosed
US-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2022-04-21 US disclosed
US-11285135-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2022-03-29 US disclosed
EP-3558955-B1 BENZISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER AMGEN INC (US) 2021-08-11 EP disclosed
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2020-03-05 US disclosed
US-10519146-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2019-12-31 US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 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-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES DHFR, TYMS, TYMP TSHR 2226/4885SLC6A1 1393/4885SLC6A13 1541/4885
US-10519146-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS TSHR 4359/4885SLC6A1 4827/4885SLC6A13 4851/4885
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS TSHR 4187/4885SLC6A1 4820/4885SLC6A13 4857/4885
US-11285135-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS TSHR 4488/4885SLC6A1 4751/4885SLC6A13 4835/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS TSHR 4359/4885SLC6A1 4827/4885SLC6A13 4851/4885
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS TSHR 4359/4885SLC6A1 4827/4885SLC6A13 4851/4885

“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.