SCHEMBL1348015

SCHEMBL1348015

C[C](C)CC(C)(C)c1ccc(F)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
NR3C1 P04150 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
NR3C2 P08235 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
F2R P25116 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
NOTUM Q6P988 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
SCHEMBL1492626 0.83 PKM (0.46) PKMNR3C1HDAC3HDAC1HDAC2
SCHEMBL1492608 0.81 PLOD2 (0.38) PKMNR3C1HDAC3HDAC1HDAC2
SCHEMBL1345446 0.79 TAAR1 (0.35) PKMNR3C1NR3C2KMT2A
SCHEMBL1344537 0.76 KMT2A (0.39) PKMNR3C1HDAC3HDAC1HDAC2
SCHEMBL30848125 0.76 KMT2A (0.39) PKMNR3C1HDAC3HDAC1HDAC2
SCHEMBL11949594 0.75 PTGS1 (0.39) PKMNR3C1HDAC3HDAC1HDAC2
SCHEMBL15933087 0.74 NOTUM (0.36) PKMNR3C1HDAC3HDAC1HDAC2
SCHEMBL7162663 0.72 KMT2A (0.33) PKMNR3C1HDAC3HDAC1HDAC2
SCHEMBL14991592 0.72 KMT2A (0.33) PKMNR3C1HDAC3HDAC1HDAC2
SCHEMBL1345854 0.70 IDO1 (0.34) PKMNR3C1NR3C2KMT2ANOTUM

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 PKM 1694/4885NR3C1 3001/4885HDAC3 401/4885

“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.