SCHEMBL1345658

SCHEMBL1345658

C/C(=N\O)c1ccc(F)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
MGLL Q99685 1/20 0.41
ALDH2 P05091 1/20 0.40
ALDH1A3 P47895 1/20 0.40
F2R P25116 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
TRPA1 O75762 6/20 0.34
PKM P14618 1/20 0.34
ABCB11 O95342 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL1345659 1.00 MEN1 (0.43) MEN1KMT2AESR1ESR2MGLL
SCHEMBL6815999 0.80 TRPA1 (0.39) MEN1KMT2AF2RCES2CES1
SCHEMBL6815992 0.80 TRPA1 (0.39) MEN1KMT2AF2RCES2CES1
SCHEMBL24445679 0.80 CES2 (0.52) MEN1KMT2AESR1ESR2MGLL
SCHEMBL8181697 0.78 ESR1 (0.50) MEN1KMT2AESR1ESR2MGLL
SCHEMBL30690133 0.78 ESR1 (0.50) MEN1KMT2AESR1ESR2MGLL
SCHEMBL8221493 0.78 ESR1 (0.50) MEN1KMT2AESR1ESR2MGLL
SCHEMBL28998948 0.77 CES2 (0.35) F2RCES2CES1PKM
SCHEMBL29156765 0.77 MEN1 (0.67) MEN1KMT2AESR1ESR2ALDH2
SCHEMBL28998955 0.77 CES2 (0.35) F2RCES2CES1PKM

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 2 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

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 MEN1 3352/4885KMT2A 1133/4885ESR1 2248/4885

“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.