SCHEMBL947594

SCHEMBL947594

O=C(c1cccc(CO)n1)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
GNE Q9Y223 1/20 0.48
HTR2C P28335 5/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4A O75164 1/20 0.45
CYP1A2 P05177 1/20 0.45
ERN1 O75460 1/20 0.45

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
SCHEMBL31098634 1.00 SMN1; SMN2 (0.48) SMN1; SMN2GNEHTR2CRAB9ANPC1
SCHEMBL946364 0.87 HTR2C (0.48) SMN1; SMN2GNEHTR2CRAB9ANPC1
SCHEMBL12359155 0.87 IRAK4 (0.49) SMN1; SMN2GNEHTR2CRAB9ANPC1
SCHEMBL946368 0.81 RAB9A (0.44) SMN1; SMN2GNEHTR2CRAB9ANPC1
SCHEMBL22242009 0.79 HSD11B1 (0.51) SMN1; SMN2GNERAB9ANPC1ALDH1A1
SCHEMBL1554586 0.79 RAB9A (0.50) SMN1; SMN2GNEHTR2CRAB9ANPC1
SCHEMBL3239132 0.79 HTR2C (0.54) SMN1; SMN2GNEHTR2CRAB9ANPC1
SCHEMBL947448 0.79 HTR2C (0.54) SMN1; SMN2GNEHTR2CRAB9ANPC1
SCHEMBL30911663 0.79 RAB9A (0.50) SMN1; SMN2GNEHTR2CRAB9ANPC1
SCHEMBL30911660 0.79 RAB9A (0.50) SMN1; SMN2GNEHTR2CRAB9ANPC1

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 15 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-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
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-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-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 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
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 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-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 SMN1; SMN2 4598/4885GNE 2776/4885HTR2C 180/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 SMN1; SMN2 4598/4885GNE 2776/4885HTR2C 180/4885

“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.