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SCHEMBL3585527

SCHEMBL3585527

CS(=O)(=O)N(CC(O)CO)c1ccc(Nc2ncc3cnn(C4CCc5c(O)cncc54)c3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 16/20 0.53
▸ AURKA O14965 15/20 0.53
▸ CCNB1 P14635 15/20 0.53
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CDK4 P11802 2/20 0.34
▸ CCND1 P24385 2/20 0.34
▸ CCND2 P30279 2/20 0.34
▸ CCND3 P30281 2/20 0.34
▸ CDK2 P24941 2/20 0.33
▸ CDK9 P50750 2/20 0.33
▸ MARK3 P27448 2/20 0.33
▸ MARK4 Q96L34 2/20 0.33
▸ SGK1 O00141 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ NUAK1 O60285 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
SCHEMBL3589505 0.91 AURKA (0.53) CDK1AURKACCNB1CYP3A4CYP2C9
SCHEMBL3583262 0.90 CDK1 (0.67) CDK1AURKACCNB1CYP3A4CYP2C9
SCHEMBL3596118 0.88 CDK1 (0.53) CDK1AURKACCNB1CYP3A4CYP2C9
SCHEMBL3579133 0.87 CDK1 (0.53) CDK1AURKACCNB1CYP3A4CYP2C9
SCHEMBL3591727 0.84 AURKA (0.70) CDK1AURKACCNB1CYP3A4CYP2C9
SCHEMBL3578472 0.83 AURKA (0.54) CDK1AURKACCNB1CYP3A4CYP2C9
SCHEMBL3581204 0.82 AURKA (0.50) CDK1AURKACCNB1CYP3A4CYP2C9
SCHEMBL3571589 0.81 AURKA (0.67) CDK1AURKACCNB1CYP3A4CYP2C9
SCHEMBL3591802 0.79 AURKA (0.68) CDK1AURKACCNB1CYP3A4CYP2C9
SCHEMBL3591999 0.78 CDK1 (0.67) CDK1AURKACCNB1CYP3A4CYP2C9

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 6 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
EP-2108019-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 — — EP claimed
WO-2008094575-A2 1-H-PYRAZOLO(3,4B)PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 — — WO claimed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 — — US disclosed
EP-2108019-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 — — EP disclosed
WO-2008094575-A2 1-H-PYRAZOLO(3,4B)PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 — — WO 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 CDK1 1/4885AURKA 10/4885CCNB1 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.