SCHEMBL24286624

SCHEMBL24286624

Cc1c(N)nc2c(F)cc(-c3ccc4[nH]ccc4c3)cn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.44
▸ NPC1 O15118 1/20 0.40
▸ PIK3CD O00329 2/20 0.40
▸ PIK3CA P42336 2/20 0.40
▸ MTOR P42345 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ HCK P08631 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ EPHB4 P54760 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ GRM1 Q13255 1/20 0.39
▸ GUSB P08236 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 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
SCHEMBL24286626 0.76 LRRK2 (0.37) LRRK2PIK3CDPIK3CAMTORABL1
SCHEMBL29537733 0.76 LRRK2 (0.37) LRRK2PIK3CDPIK3CAMTORABL1
SCHEMBL24285950 0.70 LRRK2 (0.39) LRRK2ABL1ADORA2AADORA1
SCHEMBL10187349 0.69 MAP3K11 (0.52) LRRK2NPC1PIK3CDPIK3CAMTOR
SCHEMBL5850255 0.67 NPC1 (0.79) NPC1BRD4GUSBCA12CA1
SCHEMBL24285859 0.65 CA12 (0.45) LRRK2NPC1PIK3CDPIK3CAMTOR
SCHEMBL856313 0.65 AHR (0.70) NPC1PIK3CDPIK3CAMTORGUSB
SCHEMBL15296270 0.65 NPC1 (0.69) NPC1BRD4CA12CA1CA2
SCHEMBL10213928 0.64 JAK2 (0.61) NPC1KDRCA12CA1CA2
SCHEMBL20475484 0.64 NPC1 (0.61) LRRK2NPC1BRD4CA12CA1

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-20220087985-A1 2-AMINO-3-CARBONYL IMIDAZOPYRIDINE AND PYRAZOLOPYRIDINE COMPOUNDS 1ST Biotherapeutics, Inc. (KR) 2022-03-24 — — 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-20220087985-A1 2-AMINO-3-CARBONYL IMIDAZOPYRIDINE AND PYRAZOLOPYRIDINE COMPOUNDS NLRP3, NLRP1, KCNJ2 LRRK2 538/4885NPC1 1816/4885PIK3CD 923/4885

“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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