SCHEMBL699291

SCHEMBL699291

Cc1nc2cc(C(F)(F)F)cnn2c1-c1ccnc(Nc2ccc(C(=O)NO)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.46
CDK2 P24941 9/20 0.46
GSK3B P49841 1/20 0.46
HDAC3 O15379 4/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC8 Q9BY41 3/20 0.44
JAK2 O60674 1/20 0.44
NCOR1 O75376 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
CDK4 P11802 2/20 0.41
CCNE1 P24864 1/20 0.41
ABL1 P00519 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
BCR P11274 2/20 0.40
NR1I2 O75469 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL702361 0.86 HDAC1 (0.56) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL699170 0.85 CDK2 (0.50) CAMK2DCDK2GSK3BHDAC3HDAC1
SCHEMBL701901 0.85 CAMK2D (0.47) CAMK2DCDK2HDAC3HDAC1HDAC2
SCHEMBL700146 0.83 CDK2 (0.49) CAMK2DCDK2GSK3BHDAC3HDAC1
SCHEMBL10251874 0.83 CAMK2D (0.50) CAMK2DCDK2HDAC3HDAC1HDAC2
SCHEMBL700061 0.82 CAMK2D (0.54) CAMK2DCDK2GSK3BHDAC3HDAC1
SCHEMBL700859 0.82 CAMK2D (0.48) CAMK2DCDK2GSK3BHDAC3HDAC1
SCHEMBL699287 0.81 CAMK2D (0.45) CAMK2DCDK2GSK3BHDAC3HDAC1
SCHEMBL700006 0.80 CAMK2D (0.48) CAMK2DCDK2GSK3BHDAC3HDAC1
SCHEMBL701998 0.80 CAMK2D (0.47) CAMK2DCDK2GSK3BHDAC3HDAC1

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 16/4885GSK3B 477/4885

“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.