SCHEMBL699863

SCHEMBL699863

O=C(NO)c1ccc(Nc2nccc(-c3cnc4cccnn34)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.57
CAMK2D Q13557 1/20 0.56
HDAC1 Q13547 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC3 O15379 2/20 0.50
NCOR1 O75376 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
TYK2 P29597 1/20 0.50
JAK3 P52333 1/20 0.50
CDK4 P11802 2/20 0.49
GSK3B P49841 2/20 0.49
DYRK1A Q13627 1/20 0.48
KCNH2 Q12809 3/20 0.46
IGF1R P08069 2/20 0.46

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
SCHEMBL699852 0.85 HDAC1 (0.68) CDK2HDAC1HDAC6HDAC3NCOR1
SCHEMBL699645 0.83 CDK2 (0.67) CDK2CAMK2DHDAC1HDAC6HDAC3
SCHEMBL6241590 0.83 CDK2 (0.60) CDK2CAMK2DCDK4GSK3BDYRK1A
SCHEMBL700061 0.82 CAMK2D (0.54) CDK2CAMK2DHDAC1HDAC6HDAC3
SCHEMBL700725 0.81 CAMK2D (0.56) CDK2CAMK2DHDAC1HDAC6HDAC3
SCHEMBL701078 0.80 CAMK2D (0.55) CDK2CAMK2DHDAC1HDAC6HDAC3
SCHEMBL699633 0.77 CAMK2D (0.56) CDK2CAMK2DHDAC1HDAC6HDAC3
SCHEMBL274821 0.75 CDK2 (0.85) CDK2CDK4GSK3BKCNH2
SCHEMBL27928215 0.75 HDAC1 (0.52) CDK2CAMK2DHDAC1HDAC6HDAC3
SCHEMBL6240851 0.75 CDK2 (0.82) CDK2CDK4IGF1R

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-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US claimed
JP-2011528040-A 2011-11-10 JP claimed
EP-2303881-A2 FUSED HETEROCYCLYC INHIBITORS OF HISTONE DEACETYLASE AND/OR CYCLIN-DEPENDENT KINASES GILEAD SCIENCES, INC. (US) 2011-04-06 EP claimed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US claimed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO claimed

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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 CDK2 16/4885CAMK2D 487/4885HDAC1 1/4885

“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.