SCHEMBL10174869

SCHEMBL10174869

CC(C)OC(=O)C1CN(c2cncc(C(C)C)c2)CCO1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 2/20 0.36
▸ MKNK2 Q9HBH9 2/20 0.36
▸ MAP3K5 Q99683 3/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ CCR6 P51684 3/20 0.34
▸ CHRNB2 P17787 3/20 0.32
▸ CHRNA4 P43681 3/20 0.32
▸ CHRNB4 P30926 2/20 0.32
▸ CHRNA3 P32297 2/20 0.32

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
SCHEMBL10174688 0.77 CDK4 (0.39) CCR6
SCHEMBL10309780 0.76 CCR6 (0.36) NOTUMCCR6CHRNB2CHRNA4CHRNB4
SCHEMBL10309756 0.72 GRM2 (0.39) MAP3K5NOTUM
SCHEMBL13436507 0.71 CCR6 (0.51) MKNK1MKNK2CCR6CHRNB2CHRNA4
SCHEMBL25855696 0.69 CCR6 (0.55) NOTUMCCR6CHRNB2CHRNA4CHRNB4
SCHEMBL20457911 0.67 ALDH1A1 (0.48) MAP3K5NOTUM
SCHEMBL17660602 0.67 ALDH1A1 (0.48) MAP3K5NOTUM
SCHEMBL17660616 0.67 ALDH1A1 (0.48) MAP3K5NOTUM
SCHEMBL17660608 0.67 ALDH1A1 (0.48) MAP3K5NOTUM
SCHEMBL20457975 0.67 ALDH1A1 (0.48) MAP3K5NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 — — US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 — — US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 — — 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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 MKNK1 3969/4885MKNK2 4205/4885MAP3K5 4371/4885

“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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