SCHEMBL1345854

SCHEMBL1345854

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.34
NR3C1 P04150 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.32
NOTUM Q6P988 1/20 0.32
DPP4 P27487 1/20 0.31
NR3C2 P08235 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
SCHEMBL1345446 0.84 TAAR1 (0.35) IDO1NR3C1PKMKMT2ANR3C2
SCHEMBL15933087 0.79 NOTUM (0.36) IDO1NR3C1PKMKMT2ANOTUM
SCHEMBL14991592 0.77 KMT2A (0.33) IDO1NR3C1PKMKMT2ANOTUM
SCHEMBL7162663 0.77 KMT2A (0.33) IDO1NR3C1PKMKMT2ANOTUM
SCHEMBL11949594 0.77 PTGS1 (0.39) NR3C1PKMKMT2ANOTUM
SCHEMBL29775948 0.74 NOTUM (0.46) IDO1PKMNOTUM
SCHEMBL457729 0.74 NOTUM (0.46) IDO1PKMNOTUM
SCHEMBL1344537 0.73 KMT2A (0.39) NR3C1PKMKMT2ANOTUMNR3C2
SCHEMBL30848125 0.73 KMT2A (0.39) NR3C1PKMKMT2ANOTUMNR3C2
SCHEMBL6919991 0.70 APLNR (0.31)

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 IDO1 1060/4885NR3C1 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.