SCHEMBL25840504

SCHEMBL25840504

CC(C)c1ccc(N2CCN(CCS(C)(=O)=O)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1B P35368 3/20 0.45
▸ ADRA1D P25100 1/20 0.45
▸ KDM2B Q8NHM5 2/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ GAA P10253 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ LMNA P02545 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41

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
SCHEMBL1812454 0.86 MAPT (0.60) MAPTKDM4EGAASMN1; SMN2RAD52
SCHEMBL18418402 0.83 MAPT (0.55) ADRA1BADRA1DMAPTSMN1; SMN2LMNA
SCHEMBL13589511 0.81 DRD2 (0.62) DRD2DRD4
SCHEMBL4258572 0.81 MAPT (0.54) MAPTKDM4EGAASMN1; SMN2RAD52
SCHEMBL15496525 0.78 HTR1A (0.50) ADRA1BADRA1DMAPTKDM4EGAA
SCHEMBL14923963 0.78 MAPT (0.49) ADRA1BADRA1DMAPTKDM4EGAA
SCHEMBL24478533 0.78 HSD17B10 (0.51) ADRA1BADRA1DMAPTKDM4EGAA
SCHEMBL12278862 0.78 ALDH1A1 (0.58) ADRA1BADRA1DMAPTKDM4EGAA
SCHEMBL23544893 0.78 MAPT (0.54) MAPTKDM4EGAASMN1; SMN2LMNA
SCHEMBL1815442 0.77 SIRT6 (0.61) MAPTLMNAALDH1A1POLB

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-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 — — 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-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 ADRA1B 4255/4885ADRA1D 4358/4885KDM2B 1180/4885

“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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