SCHEMBL3579319

SCHEMBL3579319

O=C(O)c1ccc(Nc2ncc3cnn(-c4cccc5ccc6ccccc6c45)c3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.50
GSK3A P49840 9/20 0.50
AURKA O14965 9/20 0.49
AURKB Q96GD4 2/20 0.42
JAK2 O60674 1/20 0.42
PLA2G10 O15496 1/20 0.42
EGFR P00533 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL3589735 0.92 GSK3B (0.53) GSK3BGSK3AAURKAAURKBJAK2
SCHEMBL3586411 0.86 SRC (0.40) GSK3BGSK3AAURKAAURKBEGFR
SCHEMBL1355974 0.83 DCLK1 (0.46) AURKAJAK2
SCHEMBL1353745 0.82 AURKA (0.53) GSK3BGSK3AAURKAAURKBJAK2
SCHEMBL3581811 0.81 CDK1 (0.44) AURKA
SCHEMBL1356073 0.80 STAT6 (0.50) AURKAAURKBJAK2
SCHEMBL3587747 0.79 CDK4 (0.51) JAK2
SCHEMBL3577978 0.79 CDK4 (0.45) AURKAAURKBJAK2EGFRKDR
SCHEMBL3593201 0.79 ROCK1 (0.36) GSK3BGSK3AAURKAAURKB
SCHEMBL3591261 0.78 GSK3A (0.39) GSK3BGSK3AAURKA

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 GSK3B 116/4885GSK3A 129/4885AURKA 10/4885

“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.