SCHEMBL699344

SCHEMBL699344

CN(C)Cc1ccn2c(-c3ccnc(Nc4ccc(C(=O)NO)cc4)n3)cnc2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.48
CDK1 P06493 2/20 0.48
CDK4 P11802 2/20 0.48
CAMK2D Q13557 1/20 0.46
IGF1R P08069 2/20 0.46
KCNH2 Q12809 2/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC3 O15379 1/20 0.44
JAK2 O60674 1/20 0.44
NCOR1 O75376 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 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
SCHEMBL701663 0.86 HDAC1 (0.63) CDK2CDK1CDK4HDAC1HDAC3
SCHEMBL700744 0.85 CDK2 (0.49) CDK2CDK1CDK4
SCHEMBL699938 0.84 JAK2 (0.47) CDK2CAMK2DIGF1RHDAC1HDAC3
SCHEMBL699043 0.82 JAK2 (0.55) CDK2CAMK2DIGF1RHDAC1HDAC3
SCHEMBL700725 0.82 CAMK2D (0.56) CDK2CDK1CDK4CAMK2DIGF1R
SCHEMBL656671 0.81 MAP4K1 (0.39) HDAC1
SCHEMBL699645 0.80 CDK2 (0.67) CDK2CDK1CDK4CAMK2DIGF1R
SCHEMBL701078 0.77 CAMK2D (0.55) CDK2CDK1CAMK2DIGF1RKCNH2
SCHEMBL708905 0.76 CDK2 (0.52) CDK2CDK1CDK4
SCHEMBL3356666 0.75 MAP4K1 (0.36) HDAC1HDAC8HDAC6

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.