SCHEMBL5723463

SCHEMBL5723463

C#CCOc1nc(Cl)ncc1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.54
CSNK1A1 P48729 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
PGK1 P00558 1/20 0.34
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
MGMT P16455 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CCR4 P51679 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAOB P27338 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
SCHEMBL5723434 0.84 PIN1 (0.51) PIN1CSNK1A1CLK4L3MBTL1GAA
SCHEMBL5723482 0.81 PIN1 (0.51) PIN1CSNK1A1CLK4MAPK1L3MBTL1
SCHEMBL5723588 0.80 PIN1 (0.56) PIN1CSNK1A1CLK4MAPK1L3MBTL1
SCHEMBL3863534 0.77 POLB (0.39) PIN1POLBMAPK1HSD17B10GAA
SCHEMBL5723859 0.76 PIN1 (0.52) PIN1CSNK1A1CLK4L3MBTL1GAA
SCHEMBL5723291 0.76 PIN1 (0.52) PIN1CSNK1A1CLK4CCNA2CDK2
SCHEMBL5723448 0.76 PIN1 (0.52) PIN1CSNK1A1CLK4HSD17B10L3MBTL1
SCHEMBL2527306 0.76 PIN1 (0.59) PIN1CSNK1A1CLK4L3MBTL1GAA
SCHEMBL20101542 0.75 PIN1 (0.51) PIN1CSNK1A1CLK4L3MBTL1GAA
SCHEMBL5723403 0.74 PIN1 (0.50) PIN1CSNK1A1CLK4L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406876-B1 2-ANILINO-PYRIMIDINE DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-12-27 EP disclosed
US-6939872-B2 2-anilino-pyrimidine derivatives as cyclin dependent kinase inhibitors ASTRAZENECA AB (SE) 2005-09-06 US disclosed
US-20040198757-A1 2-anilino-pyrimidine derivatives as cyclin dependent kinase inhibitors ASTRAZENECA AB (SE) 2004-10-07 US disclosed
EP-1406876-A1 2-ANILINO-PYRIMIDINE DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS Astrazeneca AB (SE) 2004-04-14 EP disclosed
WO-2002096887-A1 2-ANILINO-PYRIMIDINE DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS ASTRAZENECA AB (SE) 2002-12-05 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-20040198757-A1 2-anilino-pyrimidine derivatives as cyclin dependent kinase inhibitors CCNT1, CCNI, CDK2 PIN1 2600/4885CSNK1A1 79/4885CLK4 687/4885

“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.