SCHEMBL3864040

SCHEMBL3864040

COC(=O)c1cnc(-c2ccc(OC)cc2)s1.c1cc2ccc1CN2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.47
CSNK2A1 P68400 2/20 0.47
HDAC1 Q13547 4/20 0.46
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
OPRD1 P41143 1/20 0.43
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
DYRK3 O43781 1/20 0.41
PRKCG P05129 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41

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
SCHEMBL4895408 0.77 CSNK2A2 (0.59) CSNK2A2CSNK2A1HDAC1HDAC3HDAC4
SCHEMBL4894167 0.74 CDC7 (0.73) CSNK2A2CSNK2A1HDAC1HDAC3HDAC4
SCHEMBL31341218 0.73 PTPN11 (0.58) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4910418 0.73 CDC7 (0.52) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL10853403 0.73 CDC7 (0.71) HDAC1HDAC6CDC7DBF4DYRK3
SCHEMBL8562966 0.73 ALDH1A1 (0.62) HDAC1HDAC6CDC7DBF4DYRK3
SCHEMBL28297230 0.72 CDC7 (0.55) CSNK2A2CSNK2A1HDAC1HDAC3HDAC4
SCHEMBL1773302 0.71 CDC7 (0.50) HDAC1HDAC6CDC7DBF4MAPK1
SCHEMBL7392985 0.69 MMP2 (0.57) CSNK2A2CSNK2A1HDAC1HDAC3HDAC4
SCHEMBL27727745 0.69 XDH (0.51) CSNK2A2CSNK2A1HDAC1CDC7DBF4

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
US-20090270456-A1 Novel chemical compounds HASEGAWA MASAICHI 2009-10-29 US claimed
US-20090270456-A1 Novel chemical compounds HASEGAWA MASAICHI 2009-10-29 US disclosed
EP-1718297-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-09-02 EP disclosed
EP-1718297-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005070042-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-04 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-20090270456-A1 Novel chemical compounds HIPK3, HIPK2, HIPK1 CSNK2A2 7/4885CSNK2A1 8/4885HDAC1 1836/4885

“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.