SCHEMBL699658

SCHEMBL699658

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.58
CDK2 P24941 13/20 0.52
CDK4 P11802 5/20 0.52
CCNE1 P24864 5/20 0.52
CAMK2D Q13557 1/20 0.51
HDAC3 O15379 1/20 0.48
JAK2 O60674 1/20 0.48
NCOR1 O75376 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
JAK3 P52333 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CDK1 P06493 1/20 0.43
MAP3K14 Q99558 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL699357 0.89 CDK2 (0.60) HDAC1CDK2CDK4CCNE1CAMK2D
SCHEMBL700146 0.88 CDK2 (0.49) HDAC1CDK2CDK4CCNE1CAMK2D
SCHEMBL700145 0.88 CDK2 (0.49) HDAC1CDK2CDK4CCNE1CAMK2D
SCHEMBL699358 0.86 HDAC1 (0.80) HDAC1CDK2CDK4CCNE1HDAC3
SCHEMBL701179 0.86 CDK2 (0.53) HDAC1CDK2CDK4CCNE1CAMK2D
SCHEMBL699562 0.85 CDK2 (0.73) HDAC1CDK2CDK4CCNE1CAMK2D
SCHEMBL700984 0.85 CDK2 (0.47) HDAC1CDK2CDK4CCNE1CAMK2D
SCHEMBL700985 0.84 CDK2 (0.55) HDAC1CDK2CDK4CCNE1CAMK2D
SCHEMBL700856 0.84 BRAF (0.49) HDAC1CDK2CDK4CCNE1CAMK2D
SCHEMBL701162 0.83 HDAC1 (0.58) HDAC1CDK2CDK4CCNE1CAMK2D

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 HDAC1 1/4885CDK2 16/4885CDK4 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.