SCHEMBL946952

SCHEMBL946952

C[CH]c1ccccc1N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
ALOX15 P16050 1/20 0.49
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ACHE P22303 1/20 0.45
AKR1C3 P42330 3/20 0.44
NCF1 P14598 1/20 0.44
POLB P06746 3/20 0.43
NSD2 O96028 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
PDE4A P27815 1/20 0.42

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
SCHEMBL9218377 0.86 LMNA (0.50) HSD17B10ALOX15LMNAL3MBTL1MAPT
SCHEMBL6868129 0.83 LMNA (0.47) HSD17B10ALOX15LMNAL3MBTL1MAPT
SCHEMBL29844497 0.83 ALDH1A1 (0.55) HSD17B10ALOX15LMNAL3MBTL1MAPT
SCHEMBL20160791 0.83 LMNA (0.47) HSD17B10ALOX15LMNAL3MBTL1MAPT
SCHEMBL136563 0.83 ALDH1A1 (0.55) HSD17B10ALOX15LMNAL3MBTL1MAPT
SCHEMBL945417 0.82 GAA (0.50) L3MBTL1MAPTMEN1KMT2ANPC1
SCHEMBL9424119 0.81 LMNA (0.62) HSD17B10ALOX15LMNAL3MBTL1MAPT
SCHEMBL18945535 0.79 MAPT (0.45) HSD17B10ALOX15LMNAL3MBTL1MAPT
SCHEMBL10694502 0.77 ALOX15 (0.45) HSD17B10ALOX15LMNAL3MBTL1MAPT
SCHEMBL7666151 0.76 MAPT (0.43) HSD17B10ALOX15LMNAL3MBTL1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP disclosed
EP-1740574-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES Otsuka Pharmaceutical Company, Limited (JP) 2007-01-10 EP disclosed
WO-2005105778-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-11-10 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 (2 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 HSD17B10 3973/4885ALOX15 1451/4885LMNA 3497/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 HSD17B10 3973/4885ALOX15 1451/4885LMNA 3497/4885

“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.