SCHEMBL30838013

SCHEMBL30838013

COc1ccc(-c2cnc(NC3CCC(N(C)C)C3)nc2C(F)(F)F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.40
▸ MAPK8 P45983 1/20 0.36
▸ MAPK6 Q16659 6/20 0.36
▸ ULK1 O75385 2/20 0.36
▸ ULK2 Q8IYT8 2/20 0.36
▸ MCHR1 Q99705 5/20 0.35
▸ ADORA2A P29274 4/20 0.35
▸ ADORA1 P30542 3/20 0.35
▸ ADRA2A P08913 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HTR2B P41595 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
SCHEMBL30838069 0.89 IRAK4 (0.41) IRAK4MAPK8MAPK6MCHR1ADORA2A
SCHEMBL24288103 0.85 IRAK4 (0.39) IRAK4MAPK8MAPK6ADORA2AADORA1
SCHEMBL30838030 0.74 ULK1 (0.39) IRAK4ULK1MCHR1ADRA2AADRA1A
SCHEMBL27095200 0.73 MAPK8 (0.39) IRAK4MAPK8MCHR1ADORA1ADRA2A
SCHEMBL30838096 0.71 CDK2 (0.40) MAPK8ULK1MCHR1ADRA2AADRA1A
SCHEMBL24288095 0.71 MAPK8 (0.44) MAPK8MAPK6MCHR1ADORA2AADORA1
Hydrochloric Acid SCHEMBL30838108 0.70 MAPK8 (0.43) MAPK8MAPK6MCHR1ADORA2AADORA1
SCHEMBL18830394 0.70 MAPK6 (0.43) IRAK4MAPK6MCHR1ADORA2AADRA2A
SCHEMBL30837994 0.68 MAPK8 (0.39) IRAK4MAPK8MCHR1ADRA2AADRA1A
Hydrochloric Acid SCHEMBL30838027 0.68 MAPK8 (0.39) IRAK4MAPK8MCHR1ADRA2AADRA1A

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 2416/4885MAPK8 4241/4885MAPK6 928/4885

“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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