SCHEMBL3589173

SCHEMBL3589173

O=C(O)c1ccc(Nc2ncc3cnn([C@H]4Cc5cccc6cccc4c56)c3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.43
GSK3A P49840 10/20 0.43
AURKA O14965 10/20 0.43
JAK2 O60674 2/20 0.39
AURKB Q96GD4 1/20 0.39

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
SCHEMBL3588605 1.00 GSK3B (0.43) GSK3BGSK3AAURKAJAK2AURKB
SCHEMBL3588602 1.00 GSK3B (0.43) GSK3BGSK3AAURKAJAK2AURKB
SCHEMBL3580556 0.86 ABL1 (0.39) AURKAAURKB
SCHEMBL3592265 0.86 ABL1 (0.39) AURKAAURKB
SCHEMBL3590707 0.86 ABL1 (0.39) AURKAAURKB
SCHEMBL3592469 0.84 GRM5 (0.40) GSK3BAURKAJAK2
SCHEMBL3583888 0.83 GSK3B (0.47) GSK3BGSK3AAURKAJAK2AURKB
SCHEMBL3588604 0.83 GSK3B (0.47) GSK3BGSK3AAURKAJAK2AURKB
SCHEMBL3583884 0.83 GSK3B (0.47) GSK3BGSK3AAURKAJAK2AURKB
SCHEMBL3587167 0.82 AURKA (0.51) AURKAJAK2

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 4 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
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.