SCHEMBL20314845

SCHEMBL20314845

CC(C)c1cc(O)cc2c1ccn2C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.33
HSP90AA1 P07900 4/20 0.33
HSP90AB1 P08238 4/20 0.33
HSP90B1 P14625 1/20 0.33
TRAP1 Q12931 1/20 0.33
HSD11B1 P28845 1/20 0.33
GABRA1 P14867 4/20 0.32
GABRB1 P18505 3/20 0.32
LMNA P02545 2/20 0.32
SLC6A2 P23975 2/20 0.32
HTR2B P41595 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
GABRB2 P47870 2/20 0.32
TRPA1 O75762 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA1A P35348 1/20 0.32
FAAH O00519 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 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
SCHEMBL22607064 0.80 KDM4E (0.34) NQO2HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL18999660 0.80 GABRA1 (0.37) NQO2GABRA1GABRB2KDM4EALDH1A1
SCHEMBL26141092 0.79 RHEB (0.35) NQO2HTR2CKDM4EALDH1A1MAPT
SCHEMBL20314909 0.79 PRKCI (0.42) NQO2KDM4EALDH1A1MAPTRXFP1
SCHEMBL23809345 0.77 SLC22A12 (0.42) GABRA1GABRB1HPGDKDM4E
SCHEMBL24992253 0.76 NQO2 (0.32) NQO2
SCHEMBL12869459 0.75 IDO1 (0.39) LMNAESR1KDM4EMAPT
SCHEMBL18254478 0.75 TDP1 (0.33) NQO2LMNACYP3A4TSHRALDH1A1
SCHEMBL31533438 0.74 RHEB (0.40) NQO2HSD11B1ESR1ESR2KDM4E
SCHEMBL28389338 0.74 HSD11B1 (0.40) HSD11B1PTGS1ESR1

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 13 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-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 NQO2 284/4885HSP90AA1 4747/4885HSP90AB1 4694/4885
US-10519146-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS NQO2 861/4885HSP90AA1 3470/4885HSP90AB1 3084/4885
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS NQO2 850/4885HSP90AA1 3050/4885HSP90AB1 2681/4885
US-11285135-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS NQO2 467/4885HSP90AA1 3046/4885HSP90AB1 2564/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS NQO2 861/4885HSP90AA1 3470/4885HSP90AB1 3084/4885
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS NQO2 861/4885HSP90AA1 3470/4885HSP90AB1 3084/4885
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS NQO2 861/4885HSP90AA1 3470/4885HSP90AB1 3084/4885
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS NQO2 907/4885HSP90AA1 3379/4885HSP90AB1 2997/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS NQO2 672/4885HSP90AA1 2062/4885HSP90AB1 1580/4885

“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.