SCHEMBL700145

SCHEMBL700145

COc1ccc2nc(C)c(-c3ccnc(Nc4ccc(C(=O)NO)cc4)n3)n2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.49
CDK4 P11802 4/20 0.49
CCNE1 P24864 4/20 0.49
CAMK2D Q13557 1/20 0.48
CDK1 P06493 1/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC3 O15379 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
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
HDAC8 Q9BY41 1/20 0.46
AKT1 P31749 1/20 0.44
KDR P35968 1/20 0.44
PLK1 P53350 1/20 0.44
PTK2 Q05397 1/20 0.44
AURKB Q96GD4 1/20 0.44

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
SCHEMBL700984 0.91 CDK2 (0.47) CDK2CDK4CCNE1CAMK2DCDK1
SCHEMBL7964916 0.91 CDK2 (0.51) CDK2CDK4CCNE1CDK1AKT1
SCHEMBL7965034 0.91 CDK2 (0.53) CDK2CDK4CCNE1CAMK2DCDK1
SCHEMBL699658 0.88 HDAC1 (0.58) CDK2CDK4CCNE1CAMK2DCDK1
SCHEMBL699357 0.87 CDK2 (0.60) CDK2CDK4CCNE1CAMK2DCDK1
SCHEMBL699814 0.86 CDK2 (0.51) CDK2CDK4CCNE1CAMK2DCDK1
SCHEMBL698980 0.86 HDAC1 (0.64) CDK2CDK4CCNE1HDAC1HDAC3
SCHEMBL700146 0.85 CDK2 (0.49) CDK2CDK4CCNE1CAMK2DCDK1
SCHEMBL700856 0.85 BRAF (0.49) CDK2CDK4CCNE1CAMK2DCDK1
SCHEMBL701179 0.84 CDK2 (0.53) CDK2CDK4CCNE1CAMK2DCDK1

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 7 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
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US claimed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US 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.