SCHEMBL699629

SCHEMBL699629

COC(=O)c1ccn2c(-c3ccnc(Nc4ccc(C(=O)NO)cc4)n3)c(C)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.51
CDK4 P11802 5/20 0.51
CCNE1 P24864 5/20 0.51
CAMK2D Q13557 1/20 0.48
HDAC1 Q13547 6/20 0.45
HDAC3 O15379 1/20 0.45
JAK2 O60674 1/20 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
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CDK1 P06493 1/20 0.45
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
SRC P12931 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL7977194 0.91 CDK2 (0.55) CDK2CDK4CCNE1CAMK2DCDK1
SCHEMBL701721 0.91 CDK2 (0.55) CDK2CDK4CCNE1CAMK2DHDAC1
SCHEMBL699814 0.89 CDK2 (0.51) CDK2CDK4CCNE1CAMK2DHDAC1
SCHEMBL703085 0.88 BRAF (0.49) CDK2CDK4CCNE1CAMK2DHDAC1
SCHEMBL700837 0.86 CDK2 (0.48) CDK2CDK4CCNE1CAMK2DHDAC1
SCHEMBL698997 0.86 HDAC1 (0.62) CDK2CDK4CCNE1HDAC1HDAC3
SCHEMBL699251 0.85 CDK2 (0.51) CDK2CDK4CCNE1CAMK2DHDAC1
SCHEMBL717540 0.85 CDK2 (0.59) CDK2CDK4CCNE1CAMK2DHDAC1
SCHEMBL7976848 0.85 CDK2 (0.53) CDK2CDK4CCNE1CAMK2DCDK1
SCHEMBL699170 0.85 CDK2 (0.50) CDK2CDK4CCNE1CAMK2DHDAC1

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 2 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

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.