SCHEMBL698998

SCHEMBL698998

COC(=O)c1ccn2c(-c3ccnc(Nc4ccc(C(=O)N(N)c5ccccc5)cc4)n3)c(C)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.52
CDK4 P11802 5/20 0.52
CCNE1 P24864 5/20 0.52
CDK1 P06493 1/20 0.46
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
SRC P12931 1/20 0.41
HDAC1 Q13547 3/20 0.40
KCNH2 Q12809 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
CAMK2D Q13557 1/20 0.40
AURKA O14965 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL700021 0.93 CDK2 (0.54) CDK2CDK4CCNE1CDK1MAPK8
SCHEMBL7977194 0.86 CDK2 (0.55) CDK2CDK4CCNE1CDK1ABL1
SCHEMBL699629 0.83 CDK2 (0.51) CDK2CDK4CCNE1CDK1ABL1
SCHEMBL698997 0.82 HDAC1 (0.62) CDK2CDK4CCNE1ABL1HDAC1
SCHEMBL7978525 0.80 CDK2 (0.73) CDK2CDK4CCNE1CDK1MAPK8
SCHEMBL717540 0.80 CDK2 (0.59) CDK2CDK4CCNE1CDK1ABL1
SCHEMBL7976848 0.80 CDK2 (0.53) CDK2CDK4CCNE1CDK1ABL1
SCHEMBL7975457 0.77 CDK2 (0.55) CDK2CDK4CCNE1CDK1ABL1
SCHEMBL7978545 0.76 CDK2 (0.69) CDK2CDK4CCNE1CDK1ABL1
SCHEMBL701721 0.76 CDK2 (0.55) CDK2CDK4CCNE1CDK1HDAC1

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 4 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 disclosed
EP-2303881-A2 FUSED HETEROCYCLYC INHIBITORS OF HISTONE DEACETYLASE AND/OR CYCLIN-DEPENDENT KINASES GILEAD SCIENCES, INC. (US) 2011-04-06 EP disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO disclosed

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 16/4885CDK4 15/4885CCNE1 75/4885

“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.