SCHEMBL1346906

SCHEMBL1346906

CC(C)(C)OC(=O)N(CCO)c1ccc(F)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.46
PKM P14618 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GRM2 Q14416 1/20 0.34
AAK1 Q2M2I8 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRA6 Q16445 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL3635744 0.87 SSTR4 (0.38) SSTR4PKMHDAC1HDAC8HDAC6
SCHEMBL1345453 0.81 ADORA2A (0.41) PKMALDH1A1LMNAADORA2AADORA2B
SCHEMBL8349153 0.78 SSTR4 (0.43) SSTR4LMNAGRM2NPSR1F2
SCHEMBL28782758 0.74 MEN1 (0.39) SSTR4PKMHDAC8HDAC6GABRA1
SCHEMBL27797192 0.73 MEN1 (0.39) SSTR4PKMALDH1A1LMNAGABRA1
SCHEMBL16460513 0.73 SSTR4 (0.37) SSTR4ALDH1A1AAK1CYP1A2CYP2D6
SCHEMBL19208272 0.72 SSTR4 (0.41) SSTR4LMNACYP2D6CYP2C19F2
SCHEMBL27906114 0.72 AAK1 (0.40) SSTR4ALDH1A1LMNAAAK1MAPT
SCHEMBL4715109 0.72 SSTR4 (0.52) SSTR4HDAC1HDAC6ALDH1A1GRM2
SCHEMBL18739200 0.72 TDP1 (0.42) CA14

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-8063035-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2011-11-22 US disclosed
US-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-04-08 US disclosed
EP-2155734-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008144223-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 WO 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-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP SSTR4 1194/4885PKM 1694/4885HDAC1 628/4885

“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.