SCHEMBL30242558

SCHEMBL30242558

COc1cc(N)ccc1Nc1ncc(C(F)(F)F)c(Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 17/20 0.56
ALK Q9UM73 2/20 0.49
AURKA O14965 1/20 0.49
KDR P35968 1/20 0.49
AURKB Q96GD4 1/20 0.49

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
SCHEMBL10206179 0.86 LRRK2 (0.56) LRRK2ALK
SCHEMBL2034102 0.83 LRRK2 (0.58) LRRK2ALKAURKAKDR
SCHEMBL380422 0.82 LRRK2 (0.64) LRRK2
SCHEMBL2637335 0.81 LRRK2 (0.49) LRRK2ALK
SCHEMBL1613768 0.81 EGFR (0.53) LRRK2ALK
SCHEMBL2637336 0.80 LRRK2 (0.48) LRRK2ALK
SCHEMBL21723720 0.79 LRRK2 (0.48) LRRK2ALKAURKAKDRAURKB
SCHEMBL10205824 0.79 ALK (0.69) ALK
SCHEMBL15226716 0.79 LRRK2 (0.58) LRRK2
SCHEMBL2033545 0.79 LRRK2 (0.50) LRRK2ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230049557-A1 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE INCHEON NATIONAL UNIVERSITY RESEARCH & BUSINESS FOUNDATION (KR) 2023-02-16 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 (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-20230049557-A1 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE PTK2, DAPK2, DAPK1 LRRK2 701/4885ALK 404/4885AURKA 448/4885

“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.