SCHEMBL3585972

SCHEMBL3585972

CS(=O)(=O)Nc1ccc(Nc2ncc3cnn([C@H]4CCc5ccccc54)c3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.53
CDK1 P06493 14/20 0.53
CCNB1 P14635 14/20 0.53
MARK3 P27448 2/20 0.47
MARK4 Q96L34 2/20 0.47
FLT3 P36888 1/20 0.42
DCLK1 O15075 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GLO1 Q04760 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40

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
SCHEMBL3576674 1.00 AURKA (0.53) AURKACDK1CCNB1MARK3MARK4
SCHEMBL3576677 1.00 AURKA (0.53) AURKACDK1CCNB1MARK3MARK4
SCHEMBL3585045 0.88 AURKA (0.54) AURKACDK1CCNB1MARK3MARK4
SCHEMBL3588626 0.88 AURKA (0.54) AURKACDK1CCNB1MARK3MARK4
SCHEMBL3585042 0.88 AURKA (0.54) AURKACDK1CCNB1MARK3MARK4
SCHEMBL1355699 0.87 AURKA (0.45) AURKACDK1CCNB1MARK3MARK4
SCHEMBL1355702 0.87 AURKA (0.45) AURKACDK1CCNB1MARK3MARK4
SCHEMBL1355460 0.85 MARK3 (0.52) AURKACDK1CCNB1MARK3MARK4
SCHEMBL3585565 0.85 MARK3 (0.42) AURKACDK1CCNB1MARK3MARK4
SCHEMBL3576056 0.85 MARK3 (0.42) AURKACDK1CCNB1MARK3MARK4

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 10/4885CDK1 1/4885CCNB1 17/4885

“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.