SCHEMBL4223767

SCHEMBL4223767

O=C(O)C=Cc1ccc(NC2CCN(C(=O)c3ccc(F)cc3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 3/20 0.52
PAK1 Q13153 1/20 0.51
PRKAB2 O43741 2/20 0.48
PRKAG1 P54619 2/20 0.48
PRKAA1 Q13131 2/20 0.48
PRKAG3 Q9UGI9 2/20 0.48
PRKAG2 Q9UGJ0 2/20 0.48
PRKAB1 Q9Y478 2/20 0.48
GRM5 P41594 1/20 0.45
CCNK O75909 3/20 0.45
CDK12 Q9NYV4 3/20 0.45
HSD11B1 P28845 2/20 0.44
DRD3 P35462 2/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
HCAR3 P49019 1/20 0.43
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL4223760 1.00 PRKAA2 (0.52) PRKAA2PAK1PRKAB2PRKAG1PRKAA1
SCHEMBL4222260 0.90 NOS3 (0.53) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4222269 0.90 NOS3 (0.53) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4218987 0.90 NOS3 (0.53) PAK1GRM5CCNKCDK12NOS3
SCHEMBL4218980 0.90 NOS3 (0.53) PAK1GRM5CCNKCDK12NOS3
SCHEMBL4219134 0.90 CCNK (0.52) PAK1GRM5CCNKCDK12HCAR3
SCHEMBL4219143 0.90 CCNK (0.52) PAK1GRM5CCNKCDK12HCAR3
Hydrochloric Acid SCHEMBL4225919 0.89 PRKAA2 (0.50) PRKAA2PAK1PRKAB2PRKAG1PRKAA1
Hydrochloric Acid SCHEMBL4225923 0.89 PRKAA2 (0.50) PRKAA2PAK1PRKAB2PRKAG1PRKAA1
SCHEMBL4229465 0.87 GPR183 (0.55) GRM5EPHX2POLBGAANOS3

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 4 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
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 PRKAA2 585/4885PAK1 2009/4885PRKAB2 3343/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 PRKAA2 707/4885PAK1 1257/4885PRKAB2 3617/4885

“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.