SCHEMBL700913

SCHEMBL700913

Cc1nc2cc(C(=O)N3CCN(C)CC3)ccn2c1-c1ccnc(Nc2ccc(C(=O)NO)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.51
CDK1 P06493 1/20 0.51
CDK4 P11802 2/20 0.46
CCNE1 P24864 1/20 0.46
SYK P43405 10/20 0.46
JAK2 O60674 2/20 0.45
JAK3 P52333 2/20 0.45
HDAC3 O15379 1/20 0.45
NCOR1 O75376 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
CAMK2D Q13557 1/20 0.43
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42

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
SCHEMBL700985 0.88 CDK2 (0.55) CDK2CDK1CDK4CCNE1SYK
SCHEMBL699851 0.87 HDAC1 (0.57) CDK2CDK1CDK4CCNE1JAK2
SCHEMBL701721 0.86 CDK2 (0.55) CDK2CDK1CDK4CCNE1JAK2
SCHEMBL699629 0.85 CDK2 (0.51) CDK2CDK1CDK4CCNE1JAK2
SCHEMBL3540121 0.84 CDK2 (0.66) CDK2CDK1CDK4CCNE1SYK
SCHEMBL657165 0.83 MKNK1 (0.43) CDK2CDK1CDK4CCNE1HDAC1
SCHEMBL699251 0.81 CDK2 (0.51) CDK2CDK1CDK4CCNE1JAK2
SCHEMBL699814 0.81 CDK2 (0.51) CDK2CDK1CDK4CCNE1JAK2
SCHEMBL3611097 0.81 CDK2 (0.61) CDK2CDK1CDK4CCNE1SYK
SCHEMBL701690 0.81 AURKA (0.52) CDK2SYKJAK2JAK3HDAC3

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 16/4885CDK1 13/4885CDK4 15/4885

“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.