SCHEMBL1345677

SCHEMBL1345677

CC(C)(C(=O)O)c1ccc(F)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.42
NOTUM Q6P988 1/20 0.38
KCNN4 O15554 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
APP P05067 1/20 0.36
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
KMT2A Q03164 2/20 0.35
KEAP1 Q14145 1/20 0.34
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL181587 0.86 PKM (0.39) PKMKCNN4MAPTSMN1; SMN2NPC1
SCHEMBL30501769 0.81 KCNN4 (0.50) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL2791382 0.81 KCNN4 (0.50) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL23243211 0.79 PPARA (0.40) NOTUMMAPTSMN1; SMN2AKR1C3AKR1C2
SCHEMBL29050852 0.79 NOTUM (0.35) NOTUM
SCHEMBL31079813 0.79 PPARA (0.40) NOTUMMAPTSMN1; SMN2AKR1C3AKR1C2
SCHEMBL2793735 0.79 AKR1C3 (0.41) NOTUMKCNN4MAPTAPPAKR1C3
SCHEMBL1492626 0.78 PKM (0.46) PKMNOTUMKCNN4MAPTSMN1; SMN2
SCHEMBL25262844 0.78 CES2 (0.44) KCNN4APPAKR1C3AKR1C2KMT2A
SCHEMBL30848125 0.77 KMT2A (0.39) PKMNOTUMKCNN4MAPTHDAC3

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
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
CN-101679395-A triazolyl aminopyrimidine compounds LILLY CO ELI 2010-03-24 CN 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 1694/4885NOTUM 3899/4885KCNN4 3901/4885

“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.