SCHEMBL5110580

SCHEMBL5110580

CC(C)C(NC(=O)OCc1ccccc1)c1nc2ccncc2c(=O)n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.47
▸ TOP2A P11388 2/20 0.41
▸ TOP2B Q02880 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ ELANE P08246 5/20 0.40
▸ CCR1 P32246 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 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
SCHEMBL14416026 0.79 ATM (0.47) ATMELANECCR1CYP3A4
SCHEMBL5118303 0.77 ALDH1A1 (0.43) POLBCYP3A4
SCHEMBL13963460 0.76 SMN1; SMN2 (0.47) ATMELANECCR1CYP3A4
SCHEMBL13973864 0.74 ROCK2 (0.48) ATMELANECCR1CYP3A4
SCHEMBL5648475 0.73 KIF11 (0.50) CYP3A4
SCHEMBL5646819 0.73 KIF11 (0.50) CYP3A4
SCHEMBL5649327 0.73 KIF11 (0.50) CYP3A4
SCHEMBL7412044 0.71 MAPT (0.49) AAK1ATMELANE
SCHEMBL5111971 0.70 PDE4A (0.50) POLB
SCHEMBL5489353 0.70 ALDH1A1 (0.45) POLBCYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332498-B2 Modulation of KSP kinesin activity with heterocyclic-fused pyrimidinone derivatives CYTOKINETICS, INC. (US) 2008-02-19 — — US disclosed
EP-1513820-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-09-13 — — EP disclosed
US-20060111374-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-05-25 — — US disclosed
US-7038048-B2 3H-pyridopyrimidin-4-one compounds, compositions, and methods of their use CYTOKINETICS, INC. (US) 2006-05-02 — — US disclosed
EP-1513820-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-03-16 — — EP disclosed
US-20040116438-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2004-06-17 — — US disclosed
WO-2003103575-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-12-18 — — 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-20060111374-A1 Compounds, compositions, and methods ALPP, MKI67, PCNA AAK1 3056/4885TOP2A 27/4885TOP2B 23/4885

“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.

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