SCHEMBL12896154

SCHEMBL12896154

COC(=O)C1CN(C(=O)OC(C)(C)C)CC[C@@H]1N[C@@H](C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
USP30 Q70CQ3 4/20 0.45
PDE4B Q07343 3/20 0.44
STS P08842 1/20 0.44
TACR1 P25103 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
HPGDS O60760 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL13038662 1.00 GPR119 (0.47) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL12884095 1.00 GPR119 (0.47) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL14393674 1.00 GPR119 (0.47) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL13038043 1.00 GPR119 (0.47) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL1219529 1.00 GPR119 (0.47) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL1220239 1.00 GPR119 (0.47) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL1219526 1.00 GPR119 (0.47) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL1221071 1.00 GPR119 (0.47) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL12884069 1.00 GPR119 (0.47) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL8248886 1.00 GPR119 (0.47) GPR119KDM4EPKMNPC1ALDH1A1

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-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-17 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-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 GPR119 2060/4885KDM4E 2206/4885PKM 1164/4885

“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.