SCHEMBL2689428

SCHEMBL2689428

Clc1ncc2c(n1)N1CCC[C@@H]1c1nncn1-2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
BRD4 O60885 1/20 0.32
USP2 O75604 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2689831 0.96 PDE2A (0.36) PDE2AKDM4EALDH1A1ALOX15KMT2A
SCHEMBL2690262 0.95 PDE2A (0.36) PDE2AKDM4EALDH1A1ALOX15KMT2A
SCHEMBL1288265 0.82 MTOR (0.33) SMN1; SMN2
SCHEMBL1688606 0.79 MAPT (0.36) ALDH1A1ALOX15KMT2AMEN1MAPT
SCHEMBL2689688 0.78 CD38 (0.33)
SCHEMBL2689464 0.77 PDE2A (0.37) PDE2AKDM4EALDH1A1ALOX15KMT2A
SCHEMBL1688608 0.76 MAPT (0.39) ALDH1A1ALOX15KMT2AMEN1MAPT
SCHEMBL2690236 0.75 CD38 (0.35)
SCHEMBL1688578 0.75 PLK1 (0.31)
SCHEMBL2689918 0.73 PDE2A (0.38) PDE2AKDM4EALDH1A1ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120115848-A1 Inhibitors of Polo-Like Kinase ELAN PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
WO-2012048129-A2 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2012-04-12 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 (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-20120115848-A1 Inhibitors of Polo-Like Kinase PLK1, POLR2E, POLR2H PDE2A 1815/4885KDM4E 2246/4885ALDH1A1 3920/4885

“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.