SCHEMBL3589735

SCHEMBL3589735

O=C(O)c1ccc(Nc2ncc3cnn(-c4cccc5ccccc45)c3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.53
GSK3A P49840 8/20 0.53
AURKA O14965 9/20 0.53
AURKB Q96GD4 2/20 0.45
PLA2G10 O15496 1/20 0.45
JAK2 O60674 1/20 0.44
EGFR P00533 1/20 0.44
KDR P35968 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL3579319 0.92 GSK3B (0.50) GSK3BGSK3AAURKAAURKBPLA2G10
SCHEMBL1353745 0.85 AURKA (0.53) GSK3BGSK3AAURKAAURKBJAK2
SCHEMBL3591261 0.85 GSK3A (0.39) GSK3BGSK3AAURKA
SCHEMBL3583178 0.84 SRC (0.42) GSK3BGSK3AEGFR
SCHEMBL3581129 0.83 CDK4 (0.39) GSK3BGSK3AAURKAEGFRPOLB
SCHEMBL3581123 0.81 CDK4 (0.44) GSK3BGSK3A
SCHEMBL3588646 0.81 CDK4 (0.39) GSK3BGSK3AAURKAEGFR
SCHEMBL3588854 0.80 PDGFRB (0.47) KDRPOLB
SCHEMBL3588642 0.80 JAK1 (0.41) JAK2POLB
SCHEMBL3573049 0.80 CDK1 (0.46) AURKA

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 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.