SCHEMBL6133524

SCHEMBL6133524

COc1ccc(CC(=O)c2cc(F)cc(F)c2)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.41
RAB9A P51151 7/20 0.36
MAPK14 Q16539 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
NPC1 O15118 7/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX12 P18054 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PDE4D Q08499 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL6133377 0.87 NPC1 (0.44) NNMTRAB9ACES2CES1NPC1
SCHEMBL6135277 0.83 CES2 (0.41) NNMTRAB9ACES2CES1NPC1
SCHEMBL6134224 0.81 HTT (0.52) RAB9ANPC1KMT2APOLBHTT
SCHEMBL6134262 0.81 NNMT (0.42) NNMTRAB9ACES2CES1NPC1
SCHEMBL6134151 0.80 NNMT (0.45) NNMTRAB9ACES1NPC1SMN1; SMN2
SCHEMBL5799347 0.79 NPC1 (0.48) NNMTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6133543 0.79 NPC1 (0.54) RAB9ACES2CES1NPC1SMN1; SMN2
SCHEMBL6134121 0.79 NNMT (0.44) NNMTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6134073 0.78 PDE4D (0.45) NNMTSMN1; SMN2ALDH1A1KDM4EPDE4D
SCHEMBL6133689 0.78 PDE4D (0.54) NPC1SMN1; SMN2KMT2ACYP1A2POLB

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 1 patent. 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

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 NNMT 2041/4885RAB9A 1824/4885MAPK14 4653/4885

“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.