SCHEMBL3587627

SCHEMBL3587627

Nc1ccc(Nc2ncc3cnn(-c4ccc(OCc5ccccc5)c5c4CCCC5)c3n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.35
CCND1 P24385 3/20 0.35
CCND2 P30279 3/20 0.35
CCND3 P30281 3/20 0.35
CDK1 P06493 2/20 0.35
KDR P35968 2/20 0.35
ROCK1 Q13464 1/20 0.35
STAT6 P42226 1/20 0.35
EGFR P00533 1/20 0.34
BTK Q06187 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
EIF2AK4 Q9P2K8 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
JAK2 O60674 2/20 0.33
SRC P12931 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R1 P27986 1/20 0.33

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
SCHEMBL3575913 0.88 NPC1 (0.41) CDK4CCND1CCND2CCND3CDK1
SCHEMBL3589708 0.87 STAT6 (0.52) CDK4CCND1CCND2CCND3CDK1
SCHEMBL3580939 0.86 CDK4 (0.53) CDK4CCND1CCND2CCND3CDK1
SCHEMBL3586266 0.85 AURKA (0.42) CDK4CCND1CCND2CCND3CDK1
SCHEMBL3591405 0.80 SYK (0.38) CDK4CCND1CCND2CCND3CDK1
SCHEMBL3587629 0.80 CYP19A1 (0.37) ROCK1CYP19A1CYP11B1CYP11B2
SCHEMBL3590038 0.75 PRMT5 (0.46) LMNA
SCHEMBL3588130 0.73 AURKA (0.39) CDK1EIF2AK4JAK2CYP3A4CYP2C9
SCHEMBL3580945 0.73 AURKA (0.46) CDK1JAK2AURKA
SCHEMBL3583178 0.71 SRC (0.42) CDK4CCND1CCND2CCND3CDK1

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 102/4885CCND1 210/4885CCND2 329/4885

“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.