SCHEMBL14995754

SCHEMBL14995754

CNc1nc(Nc2cc[c]cc2OC)ncc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 0.67

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
SCHEMBL27897413 0.90 LRRK2 (0.57) LRRK2
SCHEMBL14994588 0.87 LRRK2 (0.64) LRRK2
SCHEMBL7449816 0.86 LRRK2 (0.53) LRRK2
SCHEMBL21723720 0.85 LRRK2 (0.48) LRRK2
SCHEMBL7459019 0.85 LRRK2 (0.50) LRRK2
SCHEMBL14993475 0.84 LRRK2 (0.53) LRRK2
SCHEMBL28081293 0.82 LRRK2 (0.52) LRRK2
SCHEMBL21723722 0.81 LRRK2 (0.48) LRRK2
SCHEMBL14994539 0.81 LRRK2 (0.63) LRRK2
SCHEMBL27920543 0.81 LRRK2 (0.63) LRRK2

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-20230248740-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer NATIONAL CANCER CENTER (KR) 2023-08-10 US disclosed
EP-2785381-A1 FLUORINE-18 AND CARBON-11 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR LRRK2 F.HOFFMANN-LA ROCHE AG (CH) 2014-10-08 EP disclosed
WO-2013079496-A1 FLUORINE-18 AND CARBON-11 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR LRRK2 F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 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-20230248740-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer LRRK2, FABP7, PARK7 LRRK2 1/4885

“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.