SCHEMBL6134151

SCHEMBL6134151

COc1ccc(CC(=O)c2ccccc2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
NPC1 O15118 3/20 0.43
POLB P06746 3/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
CES1 P23141 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5799347 0.86 NPC1 (0.48) NNMTKMT2AMEN1NPC1LMNA
SCHEMBL6133543 0.86 NPC1 (0.54) KMT2ANPC1LMNAHTTSMN1; SMN2
SCHEMBL6133870 0.84 GSK3B (0.43) NNMTKMT2AMEN1NPC1LMNA
SCHEMBL6133460 0.84 NPC1 (0.50) NNMTKMT2AMEN1NPC1POLB
SCHEMBL6133549 0.84 ALDH1A1 (0.49) KMT2AMEN1POLBL3MBTL1KDM4E
SCHEMBL6134053 0.84 CES2 (0.51) NPC1POLBLMNAL3MBTL1HTT
SCHEMBL6134193 0.84 CTNNB1 (0.50) NNMTKMT2AMEN1NPC1LMNA
SCHEMBL6133377 0.83 NPC1 (0.44) NNMTKMT2AMEN1NPC1LMNA
SCHEMBL6134112 0.83 NPC1 (0.45) NNMTKMT2AMEN1NPC1LMNA
SCHEMBL6133524 0.80 NNMT (0.41) NNMTKMT2AMEN1NPC1POLB

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 NNMT 2041/4885KMT2A 1769/4885MEN1 4671/4885

“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.