SCHEMBL3589708

SCHEMBL3589708

c1ccc(COc2ccc(-n3ncc4cnc(Nc5ccc(N6CCOCC6)cc5)nc43)c3c2CCCC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 7/20 0.52
PLK4 O00444 3/20 0.44
IGF1R P08069 1/20 0.44
JAK2 O60674 1/20 0.43
CDK4 P11802 6/20 0.43
CCND1 P24385 5/20 0.43
CCND3 P30281 4/20 0.43
CDK2 P24941 4/20 0.43
CCND2 P30279 3/20 0.43
CCNA2 P20248 2/20 0.43
CCNK O75909 1/20 0.43
CDK9 P50750 1/20 0.43
CDK6 Q00534 1/20 0.43
AURKA O14965 1/20 0.43
CDK1 P06493 3/20 0.42
CCNB1 P14635 3/20 0.42
CCNE1 P24864 3/20 0.42
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
CCNA1 P78396 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
SCHEMBL3580939 0.91 CDK4 (0.53) JAK2CDK4CCND1CCND3CDK2
SCHEMBL3587627 0.87 CDK4 (0.35) STAT6JAK2CDK4CCND1CCND3
SCHEMBL3575913 0.83 NPC1 (0.41) JAK2CDK4CCND1CCND3CDK2
SCHEMBL3583463 0.82 CDK4 (0.52) STAT6IGF1RJAK2CDK4CCND1
SCHEMBL3586266 0.81 AURKA (0.42) CDK4CCND1CCND3CDK2CCND2
SCHEMBL1355881 0.78 STAT6 (0.57) STAT6PLK4IGF1RJAK2CDK4
SCHEMBL3585927 0.75 STAT6 (0.53) STAT6PLK4IGF1RJAK2CDK4
SCHEMBL1355600 0.73 SYK (0.54) STAT6PLK4IGF1RCDK4CCND1
SCHEMBL3579094 0.73 CDK4 (0.50) JAK2CDK4CCND1CCND3CDK2
SCHEMBL1356073 0.72 STAT6 (0.50) STAT6PLK4IGF1RJAK2CDK4

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-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US claimed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US disclosed

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-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B STAT6 2276/4885PLK4 13/4885IGF1R 3119/4885

“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.