SCHEMBL1355861

SCHEMBL1355861

Cn1ncc2cnc(Nc3ccc(N4CCCCC4)cc3)nc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 16/20 0.59
CCND1 P24385 13/20 0.59
CCND2 P30279 9/20 0.59
CCND3 P30281 9/20 0.59
CDK2 P24941 6/20 0.55
CCNA2 P20248 5/20 0.55
CCNE1 P24864 5/20 0.55
CDK1 P06493 4/20 0.55
CCNE2 O96020 4/20 0.55
CCNA1 P78396 4/20 0.55
CCNB2 O95067 3/20 0.55
CCNB1 P14635 3/20 0.55
CCNB3 Q8WWL7 3/20 0.55
AURKA O14965 3/20 0.54
INSR P06213 1/20 0.54
PDGFRB P09619 1/20 0.54
SRC P12931 1/20 0.54
PDGFRA P16234 1/20 0.54
FLT1 P17948 1/20 0.54
FLT4 P35916 1/20 0.54

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
SCHEMBL1355911 0.84 CDK4 (0.56) CDK4CCND1CCND2CCND3CDK2
SCHEMBL1355615 0.83 CDK4 (0.58) CDK4CCND1CCND2CCND3CDK2
SCHEMBL1355312 0.82 CDK4 (0.67) CDK4CCND1CCND2CCND3CDK2
SCHEMBL1355991 0.81 CDK4 (0.53) CDK4CCND1CCND2CCND3CDK2
SCHEMBL1356756 0.81 CDK4 (0.58) CDK4CCND1CCND2CCND3CDK2
SCHEMBL1355752 0.81 EIF2AK4 (0.62) CDK4CCND1CCND2CCND3CDK2
SCHEMBL1355973 0.80 CDK4 (0.56) CDK4CCND1CCND2CCND3CDK2
SCHEMBL1355087 0.78 CDK4 (0.73) CDK4CCND1CCND2CCND3CDK2
SCHEMBL344014 0.78 CDK4 (0.73) CDK4CCND1CCND2CCND3CDK2
SCHEMBL1355968 0.78 STAT6 (0.58) CDK4CCND1CCND2CCND3CDK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US disclosed
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 (3 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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK4 101/4885CCND1 160/4885CCND2 219/4885
US-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B CDK4 102/4885CCND1 210/4885CCND2 329/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK4 101/4885CCND1 160/4885CCND2 219/4885

“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.