SCHEMBL20314907

SCHEMBL20314907

Cc1nc2cc(O)cc(C(C)C)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.40
ESR1 P03372 1/20 0.40
TRPV1 Q8NER1 9/20 0.38
HSP90AA1 P07900 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
ADORA3 P0DMS8 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
KDM5A P29375 1/20 0.31
PDE2A O00408 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 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
SCHEMBL1286353 0.75 ALDH1A1 (0.41) ESR2ESR1TRPV1HSP90AA1TDP1
SCHEMBL16789782 0.75 MAPT (0.41) ESR2ESR1HSP90AA1TDP1ALDH1A1
SCHEMBL27051368 0.71 LMNA (0.33) ESR2ESR1TRPA1LMNACHRM1
SCHEMBL13524891 0.71 PARP1 (0.42) TRPV1ALDH1A1LMNASLC6A2HTR2B
SCHEMBL23682767 0.70 ESR1 (0.38) ESR2ESR1CA1CA2
SCHEMBL7473133 0.67 KDM4E (0.41) ESR2ESR1ALDH1A1LMNAADORA3
SCHEMBL3435343 0.66 CA1 (0.46) ESR2ESR1TRPV1ALDH1A1TRPA1
SCHEMBL20315033 0.64 KDM4E (0.42) ESR2ESR1HSP90AA1ALDH1A1CA1
SCHEMBL7031600 0.64 KDM4E (0.36) ESR2TRPV1HSP90AA1TDP1ALDH1A1
SCHEMBL20314900 0.64 USP2 (0.41) ESR2ESR1TRPV1HSP90AA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-02 US disclosed
EP-4001269-A1 BENZOISOTHIAZOLE, 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) 2022-05-25 EP 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-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2021-01-14 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-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 (9 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 ESR2 4016/4885ESR1 2925/4885TRPV1 3408/4885
US-10519146-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS ESR2 3885/4885ESR1 3463/4885TRPV1 4825/4885
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ESR2 3787/4885ESR1 3521/4885TRPV1 4841/4885
US-11285135-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS ESR2 3466/4885ESR1 3606/4885TRPV1 4856/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ESR2 3885/4885ESR1 3463/4885TRPV1 4825/4885
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ESR2 3885/4885ESR1 3463/4885TRPV1 4825/4885
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ESR2 3885/4885ESR1 3463/4885TRPV1 4825/4885
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ESR2 3904/4885ESR1 3494/4885TRPV1 4825/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS ESR2 2178/4885ESR1 1518/4885TRPV1 4532/4885

“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.