SCHEMBL1355460

SCHEMBL1355460

CS(=O)(=O)Nc1ccc(Nc2ncc3cnn(C4CCc5c(O)cccc54)c3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 4/20 0.52
MARK4 Q96L34 4/20 0.52
NUAK1 O60285 3/20 0.52
PRKAA2 P54646 2/20 0.52
PRKAA1 Q13131 2/20 0.52
FLT3 P36888 2/20 0.52
SGK1 O00141 1/20 0.52
PIK3CD O00329 1/20 0.52
CHEK1 O14757 1/20 0.52
IKBKB O14920 1/20 0.52
MAPK13 O15264 1/20 0.52
CCNT1 O60563 1/20 0.52
JAK2 O60674 1/20 0.52
ROCK2 O75116 1/20 0.52
CHEK2 O96017 1/20 0.52
ABL1 P00519 1/20 0.52
EGFR P00533 1/20 0.52
RAF1 P04049 1/20 0.52
ERBB2 P04626 1/20 0.52
NTRK1 P04629 1/20 0.52

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
SCHEMBL3580795 0.91 AURKA (0.63) MARK3MARK4NUAK1PRKAA2PRKAA1
SCHEMBL3581204 0.89 AURKA (0.50) MARK3MARK4NUAK1PRKAA2PRKAA1
SCHEMBL1355849 0.89 AURKA (0.51) MARK3MARK4NUAK1PRKAA2PRKAA1
SCHEMBL3585958 0.88 AURKA (0.50) MARK3MARK4NUAK1PRKAA2PRKAA1
SCHEMBL1355396 0.86 AURKB (0.49) MARK3MARK4NUAK1PRKAA2PRKAA1
SCHEMBL3586052 0.86 AURKA (0.50) MARK3MARK4NUAK1PRKAA2PRKAA1
SCHEMBL3585972 0.85 AURKA (0.53) MARK3MARK4FLT3PIK3CDPIK3R1
SCHEMBL3576674 0.85 AURKA (0.53) MARK3MARK4FLT3PIK3CDPIK3R1
SCHEMBL3576677 0.85 AURKA (0.53) MARK3MARK4FLT3PIK3CDPIK3R1
SCHEMBL3571589 0.84 AURKA (0.67) MARK3MARK4NUAK1PRKAA2PRKAA1

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 8 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-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US disclosed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US disclosed
EP-2108020-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-2008094602-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 (3 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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 MARK3 232/4885MARK4 251/4885NUAK1 148/4885
US-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B MARK3 149/4885MARK4 181/4885NUAK1 194/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 MARK3 232/4885MARK4 251/4885NUAK1 148/4885

“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.