SCHEMBL13554397

SCHEMBL13554397

Cc1cccc(NC2=NC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)N2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 12/20 0.51
JAK2 O60674 9/20 0.51
GPR119 Q8TDV5 1/20 0.46
MKNK1 Q9BUB5 1/20 0.45
HTR2B P41595 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TACR1 P25103 1/20 0.39

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
SCHEMBL851002 0.88 RXFP1 (0.44) JAK1JAK2HSD17B10TACR1
SCHEMBL10290691 0.81 MAPT (0.52) JAK1JAK2GPR119TACR1
SCHEMBL2604312 0.76 USP30 (0.47) GPR119ALOX15TSHR
SCHEMBL849109 0.75 MEN1 (0.48) JAK1JAK2
SCHEMBL13551776 0.75 USP2 (0.42) JAK1JAK2GPR119
SCHEMBL851230 0.74 CRBN (0.46) JAK1JAK2
SCHEMBL850808 0.74 CRBN (0.48) JAK1JAK2GPR119
SCHEMBL13551815 0.73 TACR1 (0.45) JAK1JAK2GPR119TACR1
SCHEMBL16302394 0.73 USP30 (0.42) JAK1JAK2TACR1
SCHEMBL13551856 0.72 JAK1 (0.46) JAK1JAK2GPR119HTT

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-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 JAK1 1218/4885JAK2 81/4885GPR119 1037/4885

“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.