SCHEMBL3571516

SCHEMBL3571516

CN1CCN(c2ccc(Nc3ncc4cnn(-c5cccc6ccccc56)c4n3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.56
CDK4 P11802 8/20 0.55
CCND3 P30281 5/20 0.55
CCND1 P24385 4/20 0.55
CCND2 P30279 4/20 0.55
AURKA O14965 4/20 0.54
ALK Q9UM73 1/20 0.53
FGFR4 P22455 4/20 0.52
MAP4K1 Q92918 1/20 0.52
JAK2 O60674 1/20 0.51
BRD4 O60885 1/20 0.51
CCNA2 P20248 2/20 0.51
CDK2 P24941 2/20 0.51
CDK1 P06493 2/20 0.51
FGFR1 P11362 2/20 0.51
FGFR2 P21802 2/20 0.51
FGFR3 P22607 2/20 0.51
CCNK O75909 1/20 0.51
CDK9 P50750 1/20 0.51
CDK6 Q00534 1/20 0.51

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
SCHEMBL3585927 0.89 STAT6 (0.53) CDK4CCND3CCND1CCND2AURKA
SCHEMBL3588808 0.88 CDK4 (0.54) CDK4CCND3CCND1CCND2FGFR4
SCHEMBL1355345 0.86 EGFR (0.51) EGFRCDK4CCND3CCND1CCND2
SCHEMBL344015 0.86 CDK4 (0.66) EGFRCDK4CCND3CCND1CCND2
SCHEMBL1355286 0.85 CDK4 (0.59) EGFRCDK4CCND3CCND1CCND2
SCHEMBL3585855 0.84 CDK4 (0.59) EGFRCDK4CCND3CCND1CCND2
SCHEMBL1356073 0.82 STAT6 (0.50) CDK4CCND3CCND1CCND2AURKA
SCHEMBL27766678 0.82 STAT6 (0.48) EGFRCDK4CCND3CCND1CCND2
SCHEMBL3587747 0.81 CDK4 (0.51) CDK4CCND3CCND1CCND2FGFR4
SCHEMBL3583178 0.81 SRC (0.42) EGFRCDK4CCND3CCND1CCND2

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 EGFR 1237/4885CDK4 102/4885CCND3 256/4885

“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.