SCHEMBL30633682

SCHEMBL30633682

COC(=O)c1cc(=O)c2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc2n1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ROCK1 Q13464 1/20 0.33

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
SCHEMBL30633686 0.78 ALDH1A1 (0.46) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL26613912 0.78 ALDH1A1 (0.46) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL35210968 0.78 ROCK1 (0.34) ROCK1
SCHEMBL30633793 0.75 AAK1 (0.33)
SCHEMBL35211173 0.75 ROCK1 (0.33) KDM4EROCK1
SCHEMBL35210583 0.73 NR4A2 (0.39) KDM4EALDH1A1ROCK1
SCHEMBL515152 0.71 ROCK1 (0.40) ROCK1
SCHEMBL30633689 0.70 AKR1B1 (0.37) ALDH1A1ROCK1
SCHEMBL31257632 0.69 LPL (0.31)
SCHEMBL35210560 0.69 ROCK1 (0.34) ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136586-A1 Substituted 7-(Pyrimidin-4-yl)Quinolin-4(1H)-One Compounds as Cyclin Dependent Kinase Inhibitors BEIGENE, LTD. (KY) 2025-05-01 US disclosed
EP-4514797-A1 SUBSTITUTED 7- (PYRIMIDIN-4-YL) QUINOLIN-4 (1H) -ONE COMPOUNDS AS CYCLIN DEPENDENT KINASE INHIBITORS BeiGene, Ltd. (KY) 2025-03-05 EP disclosed
WO-2023208172-A1 SUBSTITUTED 7- (PYRIMIDIN-4-YL) QUINOLIN-4 (1H) -ONE COMPOUNDS AS CYCLIN DEPENDENT KINASE INHIBITORS BEIGENE , LTD. (KY) 2023-11-02 WO 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 (1 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-20250136586-A1 Substituted 7-(Pyrimidin-4-yl)Quinolin-4(1H)-One Compounds as Cyclin Dependent Kinase Inhibitors CDK4, CDK7, CDK8 KDM4E 527/4885ALDH1A1 2255/4885CYP1A2 3256/4885

“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.