SCHEMBL699357

SCHEMBL699357

Cc1nc2ccc(Cl)cn2c1-c1ccnc(Nc2ccc(C(=O)NO)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.60
PIK3CD O00329 1/20 0.53
PIK3R1 P27986 1/20 0.53
MAP3K14 Q99558 1/20 0.53
CDK4 P11802 4/20 0.51
CCNE1 P24864 4/20 0.51
CAMK2D Q13557 1/20 0.50
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 0.47
NCOR1 O75376 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
ABL1 P00519 1/20 0.43
PDGFRB P09619 1/20 0.43
BCR P11274 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
SCHEMBL699658 0.89 HDAC1 (0.58) CDK2MAP3K14CDK4CCNE1CAMK2D
SCHEMBL700145 0.87 CDK2 (0.49) CDK2CDK4CCNE1CAMK2DHDAC1
SCHEMBL700146 0.87 CDK2 (0.49) CDK2CDK4CCNE1CAMK2DHDAC1
SCHEMBL702259 0.85 HDAC1 (0.65) CDK2PIK3CDPIK3R1MAP3K14CDK4
SCHEMBL701179 0.85 CDK2 (0.53) CDK2CDK4CCNE1CAMK2DHDAC1
SCHEMBL699562 0.84 CDK2 (0.73) CDK2CDK4CCNE1CAMK2DHDAC1
SCHEMBL700984 0.84 CDK2 (0.47) CDK2CDK4CCNE1CAMK2DHDAC1
SCHEMBL700856 0.83 BRAF (0.49) CDK2CDK4CCNE1CAMK2DHDAC1
SCHEMBL700985 0.83 CDK2 (0.55) CDK2CDK4CCNE1CAMK2DHDAC1
SCHEMBL701162 0.82 HDAC1 (0.58) 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 16/4885PIK3CD 845/4885PIK3R1 726/4885

“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.