SCHEMBL947066

SCHEMBL947066

NCCCNC1CCCC[N]1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.31
CASP2 P42575 2/20 0.30
MEN1 O00255 1/20 0.30
CA12 O43570 1/20 0.30
F13A1 P00488 1/20 0.30
CA2 P00918 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CYP2C19 P33261 1/20 0.30
CA5A P35218 1/20 0.30
THPO P40225 1/20 0.30
CA7 P43166 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
CA9 Q16790 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL946195 0.94 SIGMAR1 (0.34) SIGMAR1CA12F13A1CA2CYP1A2
SCHEMBL948057 0.88
SCHEMBL4723807 0.81 MEN1 (0.36) MEN1CYP1A2KMT2A
SCHEMBL947313 0.79
SCHEMBL9820895 0.78 GNAI3 (0.42)
SCHEMBL4723752 0.76 EPHX1 (0.32)
SCHEMBL4721777 0.74 GNAI3 (0.34) MEN1CYP1A2KMT2A
SCHEMBL9820795 0.73 GNAI3 (0.41)
SCHEMBL8110870 0.72 GNAI3 (0.43)
SCHEMBL4723708 0.71

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 SIGMAR1 1884/4885CASP2 2494/4885MEN1 4253/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 SIGMAR1 1884/4885CASP2 2494/4885MEN1 4253/4885

“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.