SCHEMBL1345446

SCHEMBL1345446

CC(C)(CN)c1ccc(F)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.35
NR3C1 P04150 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
IDO1 P14902 2/20 0.32
NR3C2 P08235 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL1345854 0.84 IDO1 (0.34) NR3C1PKMKMT2AIDO1NR3C2
SCHEMBL19925403 0.81 KCNN4 (0.40) TAAR1IDO1NR3C2HTR2AHTR2C
SCHEMBL1348015 0.79 PKM (0.35) NR3C1PKMKMT2ANR3C2
SCHEMBL14991592 0.79 KMT2A (0.33) NR3C1PKMKMT2AIDO1
SCHEMBL7162663 0.79 KMT2A (0.33) NR3C1PKMKMT2AIDO1
SCHEMBL11949594 0.78 PTGS1 (0.39) NR3C1PKMKMT2A
SCHEMBL15933087 0.76 NOTUM (0.36) NR3C1PKMKMT2AIDO1NR3C2
SCHEMBL1492626 0.76 PKM (0.46) NR3C1PKMKMT2ANR3C2
SCHEMBL30848125 0.75 KMT2A (0.39) NR3C1PKMKMT2ANR3C2
SCHEMBL1344537 0.75 KMT2A (0.39) NR3C1PKMKMT2ANR3C2

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 TAAR1 3560/4885NR3C1 3001/4885PKM 1694/4885

“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.