SCHEMBL3583207

SCHEMBL3583207

c1ccc2c(-n3ncc4cnc(Nc5ccc(-c6nnn[nH]6)cc5)nc43)cccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.38
AURKA O14965 6/20 0.36
AURKB Q96GD4 3/20 0.36
GSK3A P49840 3/20 0.34
GSK3B P49841 3/20 0.34
CDK4 P11802 4/20 0.32
CCND1 P24385 4/20 0.32
CCND2 P30279 4/20 0.32
CCND3 P30281 4/20 0.32
EIF2AK4 Q9P2K8 1/20 0.32
CAMK2D Q13557 1/20 0.32
MERTK Q12866 1/20 0.31
CDK1 P06493 2/20 0.31
CCNB1 P14635 2/20 0.31
CCNT1 O60563 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
CCNH P51946 1/20 0.31
PTK2 Q05397 1/20 0.31
MAPK10 P53779 1/20 0.31

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
SCHEMBL3593201 0.93 ROCK1 (0.36) ROCK1AURKAAURKBGSK3AGSK3B
SCHEMBL1353817 0.86 CDK4 (0.36) AURKAAURKBGSK3AGSK3BCDK4
SCHEMBL3583178 0.80 SRC (0.42) ROCK1GSK3AGSK3BCDK4CCND1
SCHEMBL1355868 0.79 EIF2AK4 (0.46) AURKACDK4EIF2AK4PTK2FGFR1
SCHEMBL1356760 0.77 EIF2AK4 (0.57) AURKAAURKBCDK4CCND1CCND2
SCHEMBL3589735 0.77 GSK3B (0.53) AURKAAURKBGSK3AGSK3B
SCHEMBL3588854 0.76 PDGFRB (0.47) CDK4CCND1CCND2CCND3EIF2AK4
SCHEMBL3588808 0.76 CDK4 (0.54) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL3585927 0.74 STAT6 (0.53) AURKAAURKBCDK4CCND1CCND2
SCHEMBL3590227 0.74 MAPK10 (0.49) GSK3AGSK3BCDK4CCND1CCND2

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 ROCK1 517/4885AURKA 10/4885AURKB 6/4885

“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.