SCHEMBL25019042

SCHEMBL25019042

Cc1cn(C(C)C)nc1F

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
ACHE P22303 2/20 0.32
TOP2A P11388 1/20 0.31
CYP1A2 P05177 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL11979504 0.76 ADORA2A (0.35) ADORA2AADORA1CYP1A2LRRK2
SCHEMBL25018708 0.76 ADORA2A (0.33) ADORA2AADORA1ACHE
SCHEMBL22057944 0.74 ADORA2A (0.34) ADORA2AADORA1ACHE
SCHEMBL12302868 0.73 ADORA2A (0.33) ADORA2AADORA1
SCHEMBL22021178 0.73 ADORA2A (0.41) ADORA2AADORA1
SCHEMBL11060138 0.73 ADORA2A (0.33) ADORA2AADORA1ACHE
SCHEMBL25019153 0.72 ACHE (0.32) ADORA2AADORA1ACHECYP1A2LRRK2
SCHEMBL17454480 0.72 LRRK2 (0.39) ADORA2AADORA1ACHECYP1A2LRRK2
SCHEMBL19224382 0.71 ADORA2A (0.33) ADORA2AADORA1ACHE
SCHEMBL24848624 0.71 PIK3CD (0.31) ADORA2AADORA1

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-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 US disclosed
WO-2023096928-A1 HETERO-ATOM CONTAINING COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-06-01 WO disclosed
US-11578061-B2 Inhibitors of LRRK2 kinase Halia Therapeutics, Inc. (US) 2023-02-14 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 (2 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-20230183217-A1 INHIBITORS OF LRRK2 KINASE LRRK2, SNCA, PRKAR2B ADORA2A 744/4885ADORA1 826/4885ACHE 1176/4885
US-11578061-B2 Inhibitors of LRRK2 kinase LRRK2, SNCA, PRKAR2B ADORA2A 744/4885ADORA1 826/4885ACHE 1176/4885

“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.