SCHEMBL30838096

SCHEMBL30838096

Cc1nc(NC2CCCC(N(C)C)C2)ncc1-c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 0.40
▸ CDK9 P50750 3/20 0.40
▸ MAP4K4 O95819 2/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ PAK4 O96013 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ CSNK1A1 P48729 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ PRKX P51817 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ MAP4K2 Q12851 1/20 0.40
▸ STK3 Q13188 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40

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
SCHEMBL30837994 0.91 MAPK8 (0.39) MAP4K4MAPK8DPP4MCHR1ADRA2A
Hydrochloric Acid SCHEMBL30838027 0.90 MAPK8 (0.39) MAP4K4MAPK8DPP4MCHR1ADRA2A
SCHEMBL24288107 0.83 CDC7 (0.38) CDK2CDK9MAP4K4CDC7DAPK3
SCHEMBL30838024 0.83 CDC7 (0.38) CDK2CDK9MAP4K4CDC7DAPK3
SCHEMBL30838069 0.83 IRAK4 (0.41) MAPK8MCHR1ADRA2AADRA1AHRH1
SCHEMBL27095200 0.81 MAPK8 (0.39) CDK2MAPK8MCHR1ADRA2AADRA1A
SCHEMBL27095285 0.79 MAPK8 (0.40) MAP4K4MAPK8DPP4MAPK14MAPK9
SCHEMBL30838040 0.79 IRAK4 (0.45) CDK2CDK9MAP4K4CDC7DAPK3
Hydrochloric Acid SCHEMBL30838098 0.78 MAPK8 (0.40) MAP4K4MAPK8DPP4MAPK14MAPK9
SCHEMBL30838060 0.77 CYP11B1 (0.41) CDK2CDK9MAP4K4CDC7DAPK3

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 CDK2 406/4885CDK9 624/4885MAP4K4 3973/4885

“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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