SCHEMBL3587338

SCHEMBL3587338

Nc1ccc(Nc2ncc3cnn(C4CCc5ccccc54)c3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 2/20 0.42
MARK4 Q96L34 2/20 0.42
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
SYK P43405 1/20 0.41
AURKA O14965 8/20 0.41
CDK1 P06493 7/20 0.41
CCNB1 P14635 6/20 0.41
ULK1 O75385 1/20 0.40
ULK2 Q8IYT8 1/20 0.40
CDK4 P11802 5/20 0.39
CDK6 Q00534 1/20 0.39
ABL1 P00519 1/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
SRC P12931 1/20 0.38
PDGFRA P16234 1/20 0.38
MAPK14 Q16539 1/20 0.38
CCND1 P24385 3/20 0.38
CCND2 P30279 3/20 0.38

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
SCHEMBL3576056 1.00 MARK3 (0.42) MARK3MARK4PIK3CDPIK3R1SYK
SCHEMBL3585565 1.00 MARK3 (0.42) MARK3MARK4PIK3CDPIK3R1SYK
SCHEMBL1355871 0.87 SYK (0.43) MARK3MARK4PIK3CDPIK3R1SYK
SCHEMBL1355869 0.87 SYK (0.43) MARK3MARK4PIK3CDPIK3R1SYK
SCHEMBL3583888 0.86 GSK3B (0.47) MARK3MARK4AURKAAURKB
SCHEMBL3588604 0.86 GSK3B (0.47) MARK3MARK4AURKAAURKB
SCHEMBL3583884 0.86 GSK3B (0.47) MARK3MARK4AURKAAURKB
SCHEMBL1353830 0.85 MARK3 (0.40) MARK3MARK4PIK3CDPIK3R1AURKA
SCHEMBL1353835 0.85 MARK3 (0.40) MARK3MARK4PIK3CDPIK3R1AURKA
SCHEMBL3587815 0.85 MARK3 (0.42) MARK3MARK4PIK3CDPIK3R1SYK

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 MARK3 149/4885MARK4 181/4885PIK3CD 347/4885

“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.