SCHEMBL30838040

SCHEMBL30838040

CN(C)C1CCCC(Nc2ncc(-c3ccc(F)cc3)cn2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 6/20 0.45
▸ CYP11B2 P19099 1/20 0.41
▸ ULK1 O75385 1/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ CSNK1A1 P48729 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ PRKX P51817 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ CDK5 Q00535 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
SCHEMBL30838096 0.79 CDK2 (0.40) ULK1CDC7DAPK3ROCK2MAP4K4
SCHEMBL25404704 0.71 IRAK4 (0.44) IRAK4ULK1CDC7DAPK3ROCK2
SCHEMBL30504882 0.71 IRAK4 (0.44) IRAK4ULK1CDC7DAPK3ROCK2
SCHEMBL25404708 0.71 IRAK4 (0.44) IRAK4ULK1CDC7DAPK3ROCK2
SCHEMBL30504891 0.71 IRAK4 (0.44) IRAK4ULK1CDC7DAPK3ROCK2
SCHEMBL25406154 0.71 IRAK4 (0.44) IRAK4ULK1CDC7DAPK3ROCK2
SCHEMBL24288107 0.69 CDC7 (0.38) CYP11B2CDC7DAPK3ROCK2MAP4K4
SCHEMBL30838024 0.69 CDC7 (0.38) CYP11B2CDC7DAPK3ROCK2MAP4K4
SCHEMBL30837994 0.68 MAPK8 (0.39) IRAK4MAP4K4ADRA2AADRA1AHRH1
Hydrochloric Acid SCHEMBL30838027 0.67 MAPK8 (0.39) IRAK4MAP4K4ADRA2AADRA1AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CEREVANCE LTD (GB) 2024-02-22 — — US claimed
US-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CEREVANCE LTD (GB) 2024-02-22 — — 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-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CHRNA6, CHRM2, CHRNA1 IRAK4 2416/4885CYP11B2 2028/4885ULK1 4446/4885

“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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