SCHEMBL4179568

SCHEMBL4179568

Nc1cccc2c1C(=O)O/C2=C\C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.40
PTPRC P08575 1/20 0.40
PABPC1 P11940 2/20 0.38
HSPA1A P0DMV8 1/20 0.38
KDM4E B2RXH2 8/20 0.38
ALDH1A1 P00352 6/20 0.38
HPGD P15428 5/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
F2 P00734 1/20 0.38
LMNA P02545 2/20 0.36
CSNK1A1 P48729 2/20 0.35
CSNK1D P48730 2/20 0.35
CSNK1G1 Q9HCP0 2/20 0.35
FGR P09769 1/20 0.35
PIM1 P11309 1/20 0.35
MAOA P21397 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL4179573 1.00 ADORA2A (0.40) ADORA2APTPRCPABPC1HSPA1AKDM4E
SCHEMBL17293790 0.77 ALDH1A1 (0.60) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL8767253 0.77 ALDH1A1 (0.60) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL8767247 0.77 ALDH1A1 (0.60) KDM4EALDH1A1HPGDKMT2AMEN1
Acetic Acid SCHEMBL11578055 0.75 ADORA2A (0.43) ADORA2APTPRCPABPC1HSPA1AKDM4E
SCHEMBL12749140 0.74 ADORA2A (0.43) ADORA2APTPRCPABPC1HSPA1AKDM4E
SCHEMBL707373 0.73 ADORA2A (0.52) ADORA2APTPRCPABPC1HSPA1AKDM4E
SCHEMBL29816689 0.73 ADORA2A (0.52) ADORA2APTPRCPABPC1HSPA1AKDM4E
SCHEMBL23908897 0.71 CA1 (0.40) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL1612360 0.68 KDM4E (0.38) ADORA2APTPRCPABPC1HSPA1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
US-20060148800-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 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 (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-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ADORA2A 108/4885PTPRC 1317/4885PABPC1 307/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ADORA2A 108/4885PTPRC 1317/4885PABPC1 307/4885

“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.