SCHEMBL31182236

SCHEMBL31182236

NC(=O)c1ncccc1-c1cnn(CC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 4/20 0.50
▸ PDK2 Q15119 9/20 0.43
▸ PIK3CD O00329 3/20 0.42
▸ PIK3CG P48736 3/20 0.42
▸ PIK3R2 O00459 1/20 0.42
▸ GRM2 Q14416 2/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CTSD P07339 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ BACE2 Q9Y5Z0 1/20 0.41
▸ PIK3CB P42338 2/20 0.39
▸ MTOR P42345 2/20 0.39
▸ LCK P06239 1/20 0.39
▸ BTK Q06187 1/20 0.39

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
SCHEMBL22612487 0.80 KIT (0.42) METAP2PDK2PIK3CDLCKBTK
SCHEMBL31182220 0.80 PDK2 (0.44) METAP2PDK2PIK3CDPIK3CGPIK3CB
SCHEMBL15408022 0.77 LCK (0.58) PDK2PIK3CDGRM2LCKBTK
SCHEMBL29643048 0.76 PSMD14 (0.47) PDK2PIK3CDPIK3CGPIK3R2GRM2
SCHEMBL30023798 0.76 FFAR1 (0.47) METAP2PDK2LCKBTK
SCHEMBL29743564 0.74 PDK2 (0.46) METAP2PDK2
SCHEMBL15408581 0.74 METAP2 (0.51) METAP2
SCHEMBL29480681 0.73 LRRK2 (0.44) PDK2PIK3CDPIK3CGCTSDBACE1
SCHEMBL31156545 0.72 L3MBTL1 (0.41) PDK2PIK3R2GRM2NR1I2KCNH2
SCHEMBL29859763 0.72 CLK2 (0.48) PDK2GRM2NR1I2KCNH2

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-20240308980-A1 HETEROARYL AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-09-19 — — US claimed

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-20240308980-A1 HETEROARYL AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, BRSK2 METAP2 2544/4885PDK2 102/4885PIK3CD 444/4885

“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.

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