SCHEMBL700859

SCHEMBL700859

Cc1nc2ccc(C(F)(F)F)nn2c1-c1ccnc(Nc2ccc(C(=O)NO)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 2/20 0.48
HDAC1 Q13547 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
JAK2 O60674 2/20 0.45
NCOR1 O75376 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
CDK2 P24941 13/20 0.44
CDK4 P11802 3/20 0.44
CCNE1 P24864 2/20 0.42
GSK3B P49841 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC9 Q9UKV0 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
SCHEMBL699085 0.86 HDAC1 (0.56) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL700690 0.85 CAMK2D (0.47) CAMK2DHDAC1HDAC3HDAC2HDAC8
SCHEMBL701998 0.83 CAMK2D (0.47) CAMK2DHDAC1HDAC3HDAC2HDAC8
SCHEMBL700146 0.83 CDK2 (0.49) CAMK2DHDAC1HDAC3HDAC2HDAC8
SCHEMBL699291 0.82 CAMK2D (0.46) CAMK2DHDAC1HDAC3HDAC2HDAC8
SCHEMBL700061 0.82 CAMK2D (0.54) CAMK2DHDAC1HDAC3HDAC2HDAC8
SCHEMBL698981 0.80 CAMK2D (0.48) CAMK2DHDAC1HDAC3HDAC2HDAC8
SCHEMBL699170 0.79 CDK2 (0.50) CAMK2DHDAC1HDAC3HDAC2HDAC8
SCHEMBL10251874 0.79 CAMK2D (0.50) CAMK2DHDAC1HDAC3HDAC2HDAC8
SCHEMBL699658 0.77 HDAC1 (0.58) CAMK2DHDAC1HDAC3HDAC2HDAC8

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 487/4885HDAC1 1/4885HDAC3 17/4885

“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.