SCHEMBL4225299

SCHEMBL4225299

O=C(C=Cc1cnc(N[C@@H]2CCN(C(=O)c3ccc(F)cc3)C2)c(Cl)c1)NOC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK12 Q9NYV4 18/20 0.40
CCNK O75909 17/20 0.40
PAK1 Q13153 1/20 0.39
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
CDK7 P50613 3/20 0.39
CCNH P51946 3/20 0.39
MNAT1 P51948 3/20 0.39
CDK13 Q14004 1/20 0.39

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
SCHEMBL4225295 1.00 CDK12 (0.40) CDK12CCNKPAK1CCNA2CDK2
SCHEMBL4223896 0.94 CCNK (0.42) CDK12CCNKPAK1CCNA2CDK2
SCHEMBL4223904 0.94 CCNK (0.42) CDK12CCNKPAK1CCNA2CDK2
SCHEMBL4227795 0.93 CCNK (0.41) CDK12CCNKCCNA2CDK2CDK7
SCHEMBL4227787 0.93 CCNK (0.41) CDK12CCNKCCNA2CDK2CDK7
SCHEMBL4220540 0.90 PAK1 (0.45) CDK12CCNKPAK1
SCHEMBL4220533 0.90 PAK1 (0.45) CDK12CCNKPAK1
SCHEMBL4223279 0.89 CCNK (0.43) CDK12CCNKCCNA2CDK2CDK7
SCHEMBL4223274 0.89 CCNK (0.43) CDK12CCNKCCNA2CDK2CDK7
SCHEMBL4228042 0.88 NPY2R (0.41) CDK12CCNKPAK1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
EP-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 EP disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 US disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 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 (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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 CDK12 2055/4885CCNK 1593/4885PAK1 2009/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 CDK12 1720/4885CCNK 1565/4885PAK1 1257/4885

“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.