SCHEMBL3585855

SCHEMBL3585855

CN1CCN(c2ccc(Nc3ncc4cnn(-c5ccc6ccccc6c5)c4n3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 11/20 0.59
CCND3 P30281 8/20 0.59
CCND1 P24385 7/20 0.59
CCND2 P30279 7/20 0.59
MAP4K1 Q92918 1/20 0.58
EGFR P00533 3/20 0.58
AURKA O14965 4/20 0.56
FGFR4 P22455 4/20 0.55
CCNA2 P20248 4/20 0.55
CDK2 P24941 4/20 0.55
CCNE2 O96020 3/20 0.55
CCNE1 P24864 3/20 0.55
CCNA1 P78396 3/20 0.55
CDK1 P06493 3/20 0.55
FGFR1 P11362 3/20 0.55
FGFR2 P21802 3/20 0.55
FGFR3 P22607 3/20 0.55
CCNB2 O95067 2/20 0.55
CCNB1 P14635 2/20 0.55
CCNB3 Q8WWL7 2/20 0.55

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
SCHEMBL344015 0.89 CDK4 (0.66) CDK4CCND3CCND1CCND2MAP4K1
SCHEMBL1355798 0.87 CDK4 (0.73) CDK4CCND3CCND1CCND2EGFR
SCHEMBL1353760 0.84 EGFR (0.65) CDK4CCND3CCND1CCND2EGFR
SCHEMBL3571516 0.84 EGFR (0.56) CDK4CCND3CCND1CCND2MAP4K1
SCHEMBL1355286 0.81 CDK4 (0.59) CDK4CCND3CCND1CCND2MAP4K1
SCHEMBL3586476 0.80 FLT3 (0.48) CDK4CCND3CCND1CCND2AURKA
SCHEMBL18001919 0.79 JAK3 (0.73) EGFRFGFR1SRC
SCHEMBL1355810 0.79 CDK4 (0.60) CDK4CCND3CCND1CCND2EGFR
SCHEMBL1355147 0.79 TBK1 (0.61) CDK4CCND3EGFRAURKAFGFR4
SCHEMBL27174693 0.78 MAP4K1 (0.73) CDK4CCND3CCND1CCND2MAP4K1

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 CDK4 102/4885CCND3 256/4885CCND1 210/4885

“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.