SCHEMBL3575896

SCHEMBL3575896

c1cc(Nc2ncc3cnn(C4CCc5ccccc54)c3n2)cc(N2CCNCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.51
CDK6 Q00534 4/20 0.51
JAK2 O60674 4/20 0.47
BRD4 O60885 4/20 0.47
JAK1 P23458 2/20 0.47
BRD2 P25440 2/20 0.47
JAK3 P52333 2/20 0.47
BRD3 Q15059 2/20 0.47
BRDT Q58F21 2/20 0.47
MARK3 P27448 2/20 0.46
MARK4 Q96L34 1/20 0.46
CCNA2 P20248 9/20 0.44
CDK2 P24941 9/20 0.44
CCNT1 O60563 7/20 0.44
CDK9 P50750 7/20 0.44
CDK1 P06493 6/20 0.44
CCNB1 P14635 6/20 0.44
CDK7 P50613 6/20 0.44
CCNH P51946 6/20 0.44
CCNA1 P78396 4/20 0.44

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
SCHEMBL3586598 0.90 CDK4 (0.55) CDK4CDK6CCNA2CDK2CDK1
SCHEMBL3584293 0.90 CDK4 (0.55) CDK4CDK6CCNA2CDK2CDK1
SCHEMBL3592565 0.90 CDK4 (0.55) CDK4CDK6CCNA2CDK2CDK1
SCHEMBL3577561 0.80 CDK4 (0.57) CDK4CDK6JAK2JAK1JAK3
SCHEMBL3590043 0.80 CDK4 (0.57) CDK4CDK6JAK2JAK1JAK3
SCHEMBL3579088 0.80 CDK4 (0.52) CDK4CDK6JAK2CCNA2CDK2
SCHEMBL3577564 0.80 CDK4 (0.57) CDK4CDK6JAK2JAK1JAK3
SCHEMBL3579086 0.80 CDK4 (0.52) CDK4CDK6JAK2CCNA2CDK2
SCHEMBL3583817 0.80 CDK4 (0.52) CDK4CDK6JAK2CCNA2CDK2
SCHEMBL3587338 0.77 MARK3 (0.42) CDK4CDK6MARK3MARK4CCNA2

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 102/4885CDK6 64/4885JAK2 2264/4885

“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.