SCHEMBL6087029

SCHEMBL6087029

CCOC(=O)C(C#N)=C1SCC(=O)N1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ ALDH1A1 P00352 6/20 0.45
▸ GAA P10253 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ DHODH Q02127 8/20 0.44
▸ HPGD P15428 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL6087023 1.00 MAPT (0.49) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL3905980 0.85 MAPT (0.48) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL3905983 0.85 MAPT (0.48) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL14574219 0.83 MAPT (0.44) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL6088011 0.82 MAPT (0.55) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL6088005 0.82 MAPT (0.55) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL6086376 0.82 MAPT (0.45) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL6086365 0.82 MAPT (0.45) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL6087687 0.80 MAPT (0.43) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL6087691 0.80 MAPT (0.43) MAPTKMT2AKDM4EMEN1ALDH1A1

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-20060079503-A1 Thiazolidinones and the use therof as polo-like kinase inhibitors SCHERING AKTIENGESELLSCHAFT 2006-04-13 — — 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-20060079503-A1 Thiazolidinones and the use therof as polo-like kinase inhibitors PLK4, PLK2, PLK3 MAPT 1138/4885KMT2A 3723/4885KDM4E 4185/4885

“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.

Send feedback