SCHEMBL10224939

SCHEMBL10224939

CCc1cc(C)c(C2CCCC2)cc1CC=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
JAK3 P52333 3/20 0.35
TYK2 P29597 2/20 0.32
HTR2A P28223 3/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
PSMB5 P28074 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL10225712 0.86 JAK2 (0.34) JAK2JAK1JAK3TYK2HTR2A
SCHEMBL18869770 0.81 NOTUM (0.34) JAK2JAK1JAK3TYK2HTR2A
SCHEMBL10174527 0.74 PTGDR2 (0.41) JAK2JAK1JAK3TYK2HTR2A
SCHEMBL5728647 0.73 PTGDR2 (0.46) HTR2APTGDR2PSMB5
SCHEMBL9167795 0.69 PSMB5 (0.46) JAK2JAK1JAK3TYK2PTGDR2
SCHEMBL2442841 0.68 PTGDR2 (0.41) PTGDR2EPHX2
SCHEMBL10776428 0.68 NUDT1 (0.42) JAK2JAK1JAK3PTGDR2PSMB5
SCHEMBL18432616 0.68 JAK2 (0.32) JAK2JAK1JAK3HTR2APSMB5
SCHEMBL10788453 0.67 PSMB5 (0.44) JAK2JAK1JAK3TYK2PTGDR2
SCHEMBL1515856 0.67 PTGDR2 (0.43) PTGDR2EPHX2

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-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 JAK2 3232/4885JAK1 3189/4885JAK3 4579/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 JAK2 2867/4885JAK1 2949/4885JAK3 4430/4885

“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.