SCHEMBL1345830

SCHEMBL1345830

CC(C)(O)COc1ccc(F)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.55
AR P10275 1/20 0.46
MAPT P10636 3/20 0.45
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MCHR1 Q99705 1/20 0.39
LMNA P02545 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NR3C1 P04150 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
MAPK1 P28482 1/20 0.39
VDR P11473 2/20 0.38
BRD4 O60885 1/20 0.38
EPAS1 Q99814 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL17591293 0.81 VDR (0.51) ARMCHR1HDAC3HDAC6VDR
SCHEMBL29901658 0.81 PKM (0.56) PKMARMAPTRAB9ASMN1; SMN2
SCHEMBL24599161 0.81 PKM (0.56) PKMARMAPTRAB9ASMN1; SMN2
SCHEMBL29408103 0.81 UGCG (0.39) HDAC3HDAC6VDRBRD4SSTR4
SCHEMBL263774 0.81 PKM (0.56) PKMARMAPTRAB9ASMN1; SMN2
SCHEMBL31261620 0.81 NR3C1 (0.39) PKMALDH1A1MCHR1HDAC3HDAC6
SCHEMBL285799 0.81 MCHR1 (0.45) RAB9ASMN1; SMN2NPC1ALDH1A1MCHR1
SCHEMBL11035743 0.80 PKM (0.52) PKMARMAPTRAB9ASMN1; SMN2
SCHEMBL12144437 0.79 AAK1 (0.55) PKMARRAB9ASMN1; SMN2NPC1
SCHEMBL15201366 0.79 HTR7 (0.49) MAPTRAB9ASMN1; SMN2NPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679395-B Triazolyl aminopyrimidine compounds LILLY CO ELI 2012-06-13 CN disclosed
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 PKM 1694/4885AR 1355/4885MAPT 3801/4885

“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.