SCHEMBL4226641

SCHEMBL4226641

O=Cc1ccc(N[C@@H]2CCN(C(=O)O)C2)nc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNK O75909 11/20 0.45
CDK12 Q9NYV4 11/20 0.45
JAK3 P52333 3/20 0.44
HCAR3 P49019 3/20 0.44
CCNA2 P20248 3/20 0.41
CDK2 P24941 3/20 0.41
CDK7 P50613 3/20 0.41
CCNH P51946 3/20 0.41
MNAT1 P51948 3/20 0.41
NOS2 P35228 1/20 0.39
BTK Q06187 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
SCHEMBL4222650 0.92 HCAR3 (0.49) CCNKCDK12JAK3HCAR3NOS2
SCHEMBL4219311 0.83 HDAC1 (0.44) CCNKCDK12JAK3
SCHEMBL4219302 0.83 HDAC1 (0.44) CCNKCDK12JAK3
SCHEMBL2424299 0.83 CCNK (0.47) CCNKCDK12JAK3HCAR3CCNA2
SCHEMBL2424296 0.83 CCNK (0.47) CCNKCDK12JAK3HCAR3CCNA2
SCHEMBL4226337 0.82 CCNK (0.43) CCNKCDK12JAK3HCAR3CCNA2
SCHEMBL28552999 0.82 CCNK (0.60) CCNKCDK12JAK3HCAR3
SCHEMBL28559025 0.82 CCNK (0.60) CCNKCDK12JAK3HCAR3NOS2
SCHEMBL29240904 0.82 HCAR3 (0.44) CCNKCDK12JAK3HCAR3
SCHEMBL28559024 0.82 CCNK (0.60) CCNKCDK12JAK3HCAR3NOS2

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 CCNK 1593/4885CDK12 2055/4885JAK3 4112/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 CCNK 1565/4885CDK12 1720/4885JAK3 4148/4885

“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.