SCHEMBL699248

SCHEMBL699248

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.53
CDK2 P24941 5/20 0.50
CDK4 P11802 3/20 0.50
CCNE1 P24864 2/20 0.50
CDK1 P06493 1/20 0.50
EGFR P00533 2/20 0.46
ERBB2 P04626 2/20 0.46
INSR P06213 1/20 0.44
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
IKBKB O14920 2/20 0.44
CAMK2D Q13557 1/20 0.43
CHUK O15111 1/20 0.43
IKBKG Q9Y6K9 1/20 0.43
JAK2 O60674 1/20 0.41
JAK3 P52333 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
SCHEMBL7978517 0.92 IGF1R (0.53) IGF1RCDK2CDK4CCNE1CDK1
SCHEMBL700837 0.91 CDK2 (0.48) IGF1RCDK2CDK4CCNE1CDK1
SCHEMBL702867 0.87 HDAC1 (0.58) IGF1RCDK2CDK4CCNE1CDK1
SCHEMBL699814 0.87 CDK2 (0.51) IGF1RCDK2CDK4CCNE1CDK1
SCHEMBL703707 0.86 CDK2 (0.47) IGF1RCDK2CDK4CCNE1CDK1
SCHEMBL700744 0.85 CDK2 (0.49) CDK2CDK4CCNE1CDK1
SCHEMBL703004 0.85 HDAC1 (0.51) IGF1RCDK2CDK4CCNE1CDK1
SCHEMBL7975343 0.83 CDK2 (0.51) IGF1RCDK2CDK4CCNE1CDK1
SCHEMBL655254 0.83 IGF1R (0.42) IGF1RCDK2CDK4CCNE1CDK1
SCHEMBL699629 0.82 CDK2 (0.51) CDK2CDK4CCNE1CDK1ABL1

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 IGF1R 1719/4885CDK2 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.