SCHEMBL30914288

SCHEMBL30914288

CNc1nc(Nc2ccc3[nH]ncc3c2)ncc1C(F)(F)F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 4/20 0.73
▸ PTK2 Q05397 2/20 0.66
▸ PTK2B Q14289 2/20 0.66
▸ WEE1 P30291 2/20 0.64
▸ ALK Q9UM73 2/20 0.64
▸ CDC7 O00311 1/20 0.54
▸ FLT3 P36888 2/20 0.54
▸ KIT P10721 1/20 0.54
▸ ROCK2 O75116 2/20 0.53
▸ LRRK2 Q5S007 4/20 0.53
▸ CDK1 P06493 1/20 0.53
▸ SYK P43405 1/20 0.52
▸ KDR P35968 2/20 0.50
▸ CHEK1 O14757 1/20 0.49
▸ AURKA O14965 1/20 0.49
▸ DAPK3 O43293 1/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ MAP4K4 O95819 1/20 0.49
▸ PAK4 O96013 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
SCHEMBL27227953 1.00 ULK1 (0.73) ULK1PTK2PTK2BWEE1ALK
SCHEMBL27228507 0.91 ULK1 (0.61) ULK1PTK2PTK2BWEE1ALK
SCHEMBL30914277 0.91 ULK1 (0.61) ULK1PTK2PTK2BWEE1ALK
SCHEMBL17547511 0.84 ULK1 (1.00) ULK1PTK2PTK2BWEE1ALK
SCHEMBL27381488 0.82 LRRK2 (0.53) ULK1WEE1ALKLRRK2
SCHEMBL30861030 0.82 LRRK2 (0.53) ULK1WEE1ALKLRRK2
SCHEMBL3287523 0.81 PTK2 (0.62) ULK1PTK2PTK2BWEE1ALK
SCHEMBL30861123 0.81 LRRK2 (0.51) ULK1LRRK2
SCHEMBL27373957 0.81 LRRK2 (0.51) ULK1LRRK2
SCHEMBL27380149 0.81 LRRK2 (0.56) ULK1LRRK2

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-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 — — 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-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 ULK1 138/4885PTK2 155/4885PTK2B 121/4885

“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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