SCHEMBL701070

SCHEMBL701070

COc1cc2nc(C)c(-c3ccnc(Nc4ccc(C(=O)NO)cc4)n3)n2cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 2/20 0.48
CDK2 P24941 12/20 0.47
CDK4 P11802 4/20 0.47
CCNE1 P24864 4/20 0.47
HDAC1 Q13547 4/20 0.46
HDAC3 O15379 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
JAK2 O60674 1/20 0.46
NCOR1 O75376 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
CCNT1 O60563 2/20 0.43
CDK9 P50750 2/20 0.43
CDK1 P06493 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 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
SCHEMBL699211 0.89 CAMK2D (0.46) CAMK2DCDK2HDAC1HDAC3HDAC2
SCHEMBL699814 0.86 CDK2 (0.51) CAMK2DCDK2CDK4CCNE1HDAC1
SCHEMBL700667 0.86 HDAC1 (0.58) CDK2CDK4CCNE1HDAC1HDAC3
SCHEMBL701179 0.85 CDK2 (0.53) CAMK2DCDK2CDK4CCNE1HDAC1
SCHEMBL700690 0.85 CAMK2D (0.47) CAMK2DCDK2CDK4CCNE1HDAC1
SCHEMBL699629 0.84 CDK2 (0.51) CAMK2DCDK2CDK4CCNE1HDAC1
SCHEMBL700145 0.83 CDK2 (0.49) CAMK2DCDK2CDK4CCNE1HDAC1
SCHEMBL701061 0.83 CAMK2D (0.48) CAMK2DCDK2CDK4CCNE1HDAC1
SCHEMBL701721 0.82 CDK2 (0.55) CAMK2DCDK2CDK4CCNE1HDAC1
SCHEMBL700837 0.81 CDK2 (0.48) CAMK2DCDK2CDK4CCNE1HDAC1

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 CAMK2D 487/4885CDK2 16/4885CDK4 15/4885

“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.