SCHEMBL699287

SCHEMBL699287

COc1cnn2c(-c3ccnc(Nc4ccc(C(=O)NO)cc4)n3)c(C(F)(F)F)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.45
HDAC3 O15379 4/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
PTK2 Q05397 3/20 0.43
HDAC8 Q9BY41 2/20 0.43
JAK2 O60674 1/20 0.43
NCOR1 O75376 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
CDK2 P24941 4/20 0.41
CDK4 P11802 2/20 0.41
SYK P43405 3/20 0.40
SRC P12931 2/20 0.40
ZAP70 P43403 2/20 0.40
GSK3B P49841 2/20 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
SCHEMBL701901 0.89 CAMK2D (0.47) CAMK2DHDAC3HDAC1HDAC2HDAC6
SCHEMBL699905 0.88 HDAC1 (0.54) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL701224 0.85 IGF1R (0.47) CAMK2DHDAC3HDAC1HDAC2HDAC6
SCHEMBL699291 0.81 CAMK2D (0.46) CAMK2DHDAC3HDAC1HDAC2HDAC6
SCHEMBL699211 0.80 CAMK2D (0.46) CAMK2DHDAC3HDAC1HDAC2HDAC6
SCHEMBL7974201 0.78 IGF1R (0.46) CAMK2DPTK2CCNT1CDK9CDK2
SCHEMBL7963827 0.78 CCNT1 (0.51) CAMK2DCCNT1CDK9CDK2CDK4
SCHEMBL10252084 0.77 CAMK2D (0.48) CAMK2DHDAC3HDAC1HDAC2HDAC6
SCHEMBL701417 0.76 HDAC1 (0.57) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL705466 0.76 CAMK2D (0.46) CAMK2DHDAC3HDAC1HDAC2HDAC6

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 487/4885HDAC3 17/4885HDAC1 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.