SCHEMBL21393943

SCHEMBL21393943

CC1(C)OB(c2c(Cl)ccc3c2cnn3C2CCCCO2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
DGAT2 Q96PD7 1/20 0.36
CYP4F2 P78329 3/20 0.34
CYP4A11 Q02928 3/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
YTHDC1 Q96MU7 1/20 0.31
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
RET P07949 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
SCHEMBL29478948 1.00 RXRA (0.38) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL29384146 0.88 CYP4F2 (0.39) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL16647245 0.88 CYP4F2 (0.39) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL23546535 0.87 RXRA (0.36) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL25795327 0.87 RXRA (0.40) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL30641330 0.86 RXRA (0.38) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL29418904 0.86 CYP4F2 (0.36) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL21243898 0.86 CYP4F2 (0.36) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL26674786 0.86 RXRA (0.38) RXRARXRBRXRGDGAT2CYP4F2
SCHEMBL24373802 0.85 RXRA (0.37) RXRARXRBRXRGDGAT2CYP4F2

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
CN-117425649-A Pyrazole derivatives as KRAS mutein inhibitors 诺华股份有限公司 2024-01-19 CN disclosed
WO-2023220831-A1 HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-23 WO disclosed
US-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents NOVARTIS AG (CH) 2023-07-18 US disclosed
WO-2022269508-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2022-12-29 WO disclosed
WO-2022083569-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-04-28 WO disclosed
WO-2021124222-A1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-06-24 WO disclosed
WO-2021120890-A1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-06-24 WO disclosed
US-10774082-B2 Quinazoline compound ASTELLAS PHARMA INC. (JP) 2020-09-15 US disclosed
US-20200140437-A1 QUINAZOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2020-05-07 US disclosed
US-10556906-B2 Quinazoline compound ASTELLAS PHARMA INC. (JP) 2020-02-11 US disclosed
US-20190292182-A1 QUINAZOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2019-09-26 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 (5 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-20200140437-A1 QUINAZOLINE COMPOUND KRAS, NRAS, HRAS RXRA 4341/4885RXRB 4489/4885RXRG 3879/4885
US-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents PAK5, CYP51A1, SF3B5 RXRA 3302/4885RXRB 3437/4885RXRG 3379/4885
US-10556906-B2 Quinazoline compound KRAS, NRAS, HRAS RXRA 4341/4885RXRB 4489/4885RXRG 3879/4885
US-20190292182-A1 QUINAZOLINE COMPOUND KRAS, NRAS, HRAS RXRA 4341/4885RXRB 4489/4885RXRG 3879/4885
US-10774082-B2 Quinazoline compound KRAS, NRAS, HRAS RXRA 4341/4885RXRB 4489/4885RXRG 3879/4885

“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.