SCHEMBL6134262

SCHEMBL6134262

COc1ccc(CC(=O)c2c(F)cccc2F)nn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
POLB P06746 2/20 0.37
KRAS P01116 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6134635 0.85 SMN1; SMN2 (0.44) NNMTPOLBKMT2AMEN1SMN1; SMN2
SCHEMBL6134928 0.85 NNMT (0.42) NNMTRAB9ANPC1KMT2AMEN1
SCHEMBL6133377 0.83 NPC1 (0.44) NNMTRAB9ANPC1CES2CES1
SCHEMBL6133524 0.81 NNMT (0.41) NNMTRAB9ANPC1CYP1A2CES2
SCHEMBL6135277 0.78 CES2 (0.41) NNMTRAB9ANPC1CES2CES1
SCHEMBL6134151 0.78 NNMT (0.45) NNMTRAB9ANPC1CES1POLB
SCHEMBL6134224 0.76 HTT (0.52) RAB9ANPC1POLBKMT2AMEN1
SCHEMBL6134053 0.75 CES2 (0.51) RAB9ANPC1CES2CES1POLB
SCHEMBL6134193 0.75 CTNNB1 (0.50) NNMTRAB9ANPC1KMT2AMEN1
SCHEMBL6133746 0.75 NPC1 (0.44) NNMTRAB9ANPC1KMT2AMEN1

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 1824/4885NPC1 4182/4885

“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.