SCHEMBL6134224

SCHEMBL6134224

COc1ccc(CC(=O)c2ccc(OC)c(F)c2)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
LMNA P02545 2/20 0.52
RAB9A P51151 2/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HRH3 Q9Y5N1 2/20 0.42
PDE4D Q08499 1/20 0.42
ACHE P22303 1/20 0.42
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
ATM Q13315 1/20 0.41
NPC1 O15118 2/20 0.40
CYP11B1 P15538 1/20 0.40

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
SCHEMBL6135277 0.89 CES2 (0.41) HTTLMNARAB9AMAPK1KMT2A
SCHEMBL6133689 0.88 PDE4D (0.54) HTTLMNAMAPK1KMT2AMEN1
SCHEMBL6133524 0.81 NNMT (0.41) HTTLMNARAB9AKMT2AMEN1
SCHEMBL6133377 0.80 NPC1 (0.44) HTTLMNARAB9AKMT2AMEN1
SCHEMBL6134073 0.80 PDE4D (0.45) ALDH1A1PDE4DTSHR
SCHEMBL6133543 0.77 NPC1 (0.54) HTTLMNARAB9AMAPK1KMT2A
SCHEMBL5799347 0.77 NPC1 (0.48) HTTLMNARAB9AKMT2AMEN1
SCHEMBL3940426 0.77 HTT (0.61) HTTLMNARAB9AMAPK1KMT2A
SCHEMBL6133870 0.76 GSK3B (0.43) HTTLMNARAB9AMAPK1KMT2A
SCHEMBL6133460 0.76 NPC1 (0.50) HTTLMNARAB9AKMT2AMEN1

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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 US disclosed
WO-2003057689-A1 AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 HTT 184/4885LMNA 3549/4885RAB9A 1824/4885

“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.