SCHEMBL2821520

SCHEMBL2821520

Cc1cccc(/C=C/c2nc3ccccn3c(=O)c2-c2ccc(C#N)cc2)c1OC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.38
KCNK9 Q9NPC2 4/20 0.38
CXCR3 P49682 2/20 0.36
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.34
HPGD P15428 3/20 0.34
S1PR4 O95977 2/20 0.34
GLA P06280 2/20 0.34
S1PR1 P21453 2/20 0.34
S1PR2 O95136 1/20 0.34
MAPT P10636 3/20 0.33
CXCR5 P32302 1/20 0.33
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
BRD4 O60885 1/20 0.32
PIK3CD O00329 3/20 0.32
PDE4A P27815 1/20 0.31

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
SCHEMBL2821522 1.00 KCNK3 (0.38) KCNK3KCNK9CXCR3KDM4EALDH1A1
SCHEMBL2821318 0.91 KCNK3 (0.37) KCNK3KCNK9CXCR3KDM4EALDH1A1
SCHEMBL2821317 0.91 KCNK3 (0.37) KCNK3KCNK9CXCR3KDM4EALDH1A1
SCHEMBL2822006 0.82 CNR2 (0.34) KCNK3KCNK9KDM4EALDH1A1GAA
SCHEMBL2822010 0.82 CNR2 (0.34) KCNK3KCNK9KDM4EALDH1A1GAA
SCHEMBL2819037 0.81 LMNA (0.39) ALDH1A1MAPTPDE4APOLB
SCHEMBL2819041 0.81 LMNA (0.39) ALDH1A1MAPTPDE4APOLB
SCHEMBL2819042 0.81 MDM2 (0.34) GAAMAPTPDE4A
SCHEMBL2819045 0.81 MDM2 (0.34) GAAMAPTPDE4A
SCHEMBL2847363 0.79 KCNK3 (0.38) KCNK3KCNK9CXCR3MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-18 US 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-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators TRPV3, TRPV1, TRPV5 KCNK3 121/4885KCNK9 483/4885CXCR3 310/4885

“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.