SCHEMBL2689540

SCHEMBL2689540

Cc1nnc2n1-c1cnc(Cl)nc1N1CCCCCC21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.37
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BRD4 O60885 5/20 0.31
PLK1 P53350 4/20 0.31
AVPR1A P37288 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 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
SCHEMBL2689918 0.99 PDE2A (0.38) PDE2AHDAC1HDAC6KDM4EMEN1
SCHEMBL2689464 0.95 PDE2A (0.37) PDE2AHDAC1HDAC6KDM4EMEN1
SCHEMBL1688616 0.81 MAPT (0.42) HDAC1HDAC6MEN1ALDH1A1MAPT
SCHEMBL2689714 0.81 MTOR (0.37) BRD4SMN1; SMN2ABL1BCR
SCHEMBL2690262 0.78 PDE2A (0.36) PDE2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL2689534 0.78 NOS2 (0.36)
SCHEMBL2689831 0.76 PDE2A (0.36) PDE2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL31712336 0.75 PLK1 (0.47) BRD4PLK1
SCHEMBL6840372 0.75 BRD4 (0.39) PDE2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL1288576 0.74 OGG1 (0.35) MAPT

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 2 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

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 1815/4885HDAC1 1132/4885HDAC6 689/4885

“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.