SCHEMBL23917059

SCHEMBL23917059

COc1cccc2cccc(C(C)(C)C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.43
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
PPARG P37231 2/20 0.41
ATM Q13315 1/20 0.41
RXRA P19793 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
GAA P10253 3/20 0.40

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
Hydrochloric Acid SCHEMBL27552962 0.81 CA2 (0.38) KCNA5CA2KDM4EHPGDALDH1A1
SCHEMBL18477544 0.80 CA2 (0.34) KCNA5CA2KDM4EHPGDALDH1A1
SCHEMBL443530 0.80 CA12 (0.55) CA2CA12CA1CA4CA7
SCHEMBL29709902 0.80 CA12 (0.55) CA2CA12CA1CA4CA7
SCHEMBL25673267 0.80 CA2 (0.52) CA2KDM4EHPGDALDH1A1ATM
SCHEMBL2949842 0.76 LMNA (0.43) CA2CA12CA1CA4CA7
SCHEMBL29771456 0.76 CA2 (0.57) CA2CA12CA1CA4CA7
SCHEMBL142899 0.76 CA2 (0.57) CA2CA12CA1CA4CA7
SCHEMBL6690123 0.75 CA2 (0.44) CA2CA12CA1CA4CA7
SCHEMBL8733235 0.75 CA2 (0.44) CA2CA12CA1CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20220389021-A1 INHIBITORS OF KRAS G12C BEONE MEDICINES I GMBH (CH) 2022-12-08 US disclosed
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2021-10-14 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 (3 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-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS KCNA5 2895/4885CA2 324/4885CA12 3164/4885
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS KCNA5 3173/4885CA2 1854/4885CA12 2473/4885
US-20220389021-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KCNA5 4558/4885CA2 2967/4885CA12 4146/4885

“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.