SCHEMBL21379252

SCHEMBL21379252

C=Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
CYP4F2 P78329 3/20 0.33
CYP4A11 Q02928 3/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
PARG Q86W56 1/20 0.30
DGAT2 Q96PD7 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
SCHEMBL29593385 1.00 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL16647245 0.85 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29384146 0.85 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21393943 0.85 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29478948 0.85 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25795327 0.84 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30641330 0.84 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL26674786 0.84 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL24373802 0.83 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30391032 0.82 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11

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-110267957-B Quinazoline compounds 安斯泰来制药株式会社 2022-04-26 CN disclosed
EP-3578560-B1 QUINAZOLINE COMPOUND ASTELLAS PHARMA INC (JP) 2021-11-10 EP disclosed
EP-3578560-B1 QUINAZOLINE COMPOUND ASTELLAS PHARMA INC (JP) 2021-11-10 EP disclosed
US-10774082-B2 Quinazoline compound ASTELLAS PHARMA INC. (JP) 2020-09-15 US 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-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-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
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 (4 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-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.