SCHEMBL949342

SCHEMBL949342

CCOC(=O)C=Cc1cccc(CO)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
TTR P02766 1/20 0.43
DPP4 P27487 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP3A4 P08684 2/20 0.42
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
PKM P14618 1/20 0.41
CYP1A2 P05177 2/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
MAOB P27338 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40

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
SCHEMBL949340 1.00 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL412883 0.85 KDM4E (0.45) CA12CA1CA2CA7CA9
SCHEMBL946118 0.85 KDM4E (0.45) CA12CA1CA2CA7CA9
SCHEMBL2302950 0.84 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL2302954 0.84 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL1886247 0.82 HCAR2 (0.51) CA12CA1CA2CA7CA9
SCHEMBL1886248 0.82 HCAR2 (0.51) CA12CA1CA2CA7CA9
SCHEMBL946064 0.82 LMNA (0.37) CYP3A4LMNAKDM4EPKMCYP1A2
SCHEMBL946916 0.82 LMNA (0.37) CYP3A4LMNAKDM4EPKMCYP1A2
SCHEMBL946065 0.82 LMNA (0.37) CYP3A4LMNAKDM4EPKMCYP1A2

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 CA12 4717/4885CA1 4672/4885CA2 755/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 CA12 4717/4885CA1 4672/4885CA2 755/4885

“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.