SCHEMBL3585284

SCHEMBL3585284

O=C(Nc1ccc(Nc2ncc3cnn(C4CCc5ccccc54)c3n2)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.47
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
BRD4 O60885 1/20 0.44
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
MARK3 P27448 1/20 0.40
MARK4 Q96L34 1/20 0.40
AURKB Q96GD4 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40
EGFR P00533 1/20 0.40
HSD11B1 P28845 1/20 0.39
SYK P43405 1/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
LCK P06239 1/20 0.39

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
SCHEMBL3588604 0.90 GSK3B (0.47) AURKAMARK3MARK4AURKB
SCHEMBL3583884 0.90 GSK3B (0.47) AURKAMARK3MARK4AURKB
SCHEMBL3583888 0.90 GSK3B (0.47) AURKAMARK3MARK4AURKB
SCHEMBL3587815 0.89 MARK3 (0.42) AURKACDK4CCND1CCNA2CDK2
SCHEMBL1355699 0.86 AURKA (0.45) AURKABRD4MARK3MARK4AURKB
SCHEMBL1355702 0.86 AURKA (0.45) AURKABRD4MARK3MARK4AURKB
SCHEMBL3585565 0.83 MARK3 (0.42) AURKACDK4CCND1CCNA2CDK2
SCHEMBL3587338 0.83 MARK3 (0.42) AURKACDK4CCND1CCNA2CDK2
SCHEMBL3576056 0.83 MARK3 (0.42) AURKACDK4CCND1CCNA2CDK2
SCHEMBL1353831 0.82 MARK3 (0.41) AURKACDK4CCND1CCNA2CDK2

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 AURKA 10/4885CDK4 102/4885CCND1 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.