SCHEMBL311017

SCHEMBL311017

CC(C)n1cc(-c2cccc(C(F)(F)F)c2)nc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.46
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CNR2 P34972 1/20 0.43
P2RY14 Q15391 1/20 0.42
STS P08842 1/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
PTK2 Q05397 1/20 0.42
SYK P43405 1/20 0.42
HPGDS O60760 1/20 0.41
TGFBR1 P36897 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AKT1 P31749 1/20 0.41
IDH1 O75874 1/20 0.41
IDH2 P48735 1/20 0.41
HTT P42858 1/20 0.41
TRPV3 Q8NET8 1/20 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
SCHEMBL312365 0.88 GPR119 (0.45) GPR119POLBMAPTP2RY14STS
SCHEMBL28805453 0.84 GPR119 (0.48) GPR119MAPTHTTTRPV3
SCHEMBL311477 0.80 HPGDS (0.48) GPR119POLBMAPTP2RY14STS
SCHEMBL15732697 0.78 GPR119 (0.47) GPR119POLBMAPTP2RY14STS
Hydrochloric Acid SCHEMBL311170 0.78 MEN1 (0.54) POLBCNR2
SCHEMBL15732488 0.76 P2RY14 (0.51) GPR119MAPTP2RY14RPS6KB1HTT
SCHEMBL4451814 0.75 STS (0.50) GPR119POLBMAPTP2RY14STS
SCHEMBL311144 0.75 RPS6KB1 (0.47) CNR2RPS6KB1AKT1
SCHEMBL15732412 0.75 KIT (0.52) GPR119POLBMAPTP2RY14STS
SCHEMBL311776 0.74 TLR8 (0.45) RPS6KB1AKT1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148880-B1 P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2014-05-28 EP disclosed
CN-101679439-B P70S 6 kinase inhibitors LILLY CO ELI 2013-09-11 CN disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
CN-101679439-A P70S 6 kinase inhibitors LILLY CO ELI 2010-03-24 CN disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 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 (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-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 GPR119 645/4885POLB 3457/4885MAPT 814/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 GPR119 645/4885POLB 3457/4885MAPT 814/4885

“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.