SCHEMBL27095200

SCHEMBL27095200

CN(C)C1CCC(Nc2ncc(-c3ccc(F)cc3F)c(C#N)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 5/20 0.39
▸ ERN1 O75460 1/20 0.36
▸ IRAK4 Q9NWZ3 6/20 0.35
▸ GPR6 P46095 2/20 0.35
▸ MELK Q14680 1/20 0.35
▸ MAPK14 Q16539 2/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ FASN P49327 1/20 0.34
▸ JUN P05412 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ ADORA1 P30542 1/20 0.33

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
SCHEMBL24288103 0.89 IRAK4 (0.39) MAPK8IRAK4GPR6ADORA1
SCHEMBL30838096 0.81 CDK2 (0.40) MAPK8ERN1MAPK14ADRA2AADRA1A
SCHEMBL30837994 0.78 MAPK8 (0.39) MAPK8ERN1IRAK4MAPK14ADRA2A
Hydrochloric Acid SCHEMBL30838027 0.77 MAPK8 (0.39) MAPK8ERN1IRAK4MAPK14ADRA2A
SCHEMBL30838069 0.74 IRAK4 (0.41) MAPK8IRAK4GPR6ADRA2AADRA1A
SCHEMBL30838013 0.73 IRAK4 (0.40) MAPK8IRAK4ADRA2AADRA1AHRH1
SCHEMBL30838040 0.69 IRAK4 (0.45) MAPK8IRAK4ADRA2AADRA1AHRH1
SCHEMBL24288104 0.69 CHRM3 (0.44) —
SCHEMBL24288107 0.69 CDC7 (0.38) MAPK8MAPK14MCHR1CDK2
SCHEMBL30838024 0.69 CDC7 (0.38) MAPK8MAPK14MCHR1CDK2

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-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 MAPK8 4241/4885ERN1 2779/4885IRAK4 2416/4885

“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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