SCHEMBL20314908

SCHEMBL20314908

CC(C)c1c(F)ccc(O)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 1/20 0.38
TYR P14679 1/20 0.36
ESR1 P03372 8/20 0.36
ESR2 Q92731 8/20 0.36
GABRA1 P14867 2/20 0.34
GABRB1 P18505 1/20 0.34
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 2/20 0.32
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL12295184 0.82 MET (0.37)
SCHEMBL27959750 0.80 CA3 (0.36) MAPK1CYP3A4TYRGABRA1GABRB1
SCHEMBL27959754 0.78 CA3 (0.34) CYP3A4TYRGABRA1GABRB1HTT
SCHEMBL25658363 0.78 CA3 (0.34) TYRGABRA1HTTCA3CA6
SCHEMBL20884656 0.78 CYP3A4 (0.52) MAPK1CYP3A4TYRESR1ESR2
SCHEMBL12295186 0.77 CYP3A4 (0.31) CYP3A4
SCHEMBL19304091 0.74 CA3 (0.34) TYRGABRA1HTTCA3CA6
SCHEMBL12678215 0.74 ACHE (0.30)
SCHEMBL19768952 0.73 GABRA1 (0.37) CYP3A4GABRA1GABRB1TSHRCA3
Ethane SCHEMBL28020924 0.73 MAPK1 (0.50) MAPK1CYP3A4ESR1ESR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-04-20 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-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
WO-2018119183-A2 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 WO 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 (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-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS MAPK1 763/4885CYP3A4 4770/4885TYR 4870/4885
US-11285135-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS MAPK1 248/4885CYP3A4 4494/4885TYR 4850/4885
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS STING1, CGAS, MAVS MAPK1 2469/4885CYP3A4 4501/4885TYR 1947/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS MAPK1 1073/4885CYP3A4 4739/4885TYR 4880/4885
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS MAPK1 1073/4885CYP3A4 4739/4885TYR 4880/4885
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS MAPK1 1073/4885CYP3A4 4739/4885TYR 4880/4885
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS MAPK1 682/4885CYP3A4 4730/4885TYR 4872/4885

“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.