SCHEMBL17545972

SCHEMBL17545972

CC(C)(C)OC(=O)N1CC[C@H](Nc2ncnc3c2cnn3COCC[Si](C)(C)C)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.52
PIK3CD O00329 9/20 0.51
ADORA1 P30542 1/20 0.49
PIK3CA P42336 5/20 0.46
BTK Q06187 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
NR2F2 P24468 1/20 0.42
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PIK3R1 P27986 3/20 0.40

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
SCHEMBL17545982 1.00 GPR119 (0.52) GPR119PIK3CDADORA1PIK3CABTK
SCHEMBL17545981 1.00 GPR119 (0.52) GPR119PIK3CDADORA1PIK3CABTK
SCHEMBL18421012 0.95 GPR119 (0.47) GPR119PIK3CDADORA1PIK3CABTK
SCHEMBL17545863 0.95 GPR119 (0.47) GPR119PIK3CDADORA1PIK3CABTK
SCHEMBL17545884 0.95 GPR119 (0.47) GPR119PIK3CDADORA1PIK3CABTK
SCHEMBL17527323 0.94 GPR119 (0.46) GPR119PIK3CDADORA1PIK3CABTK
SCHEMBL6128758 0.93 GPR119 (0.47) GPR119PIK3CDADORA1PIK3CABTK
SCHEMBL17546141 0.81 GPR119 (0.44) GPR119PIK3CD
SCHEMBL17545978 0.81 GPR119 (0.44) GPR119PIK3CD
SCHEMBL6128850 0.80 GPR119 (0.43) GPR119PIK3CDADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 US disclosed
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 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-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS TEC, ABL1, LCK GPR119 4073/4885PIK3CD 108/4885ADORA1 4866/4885

“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.