SCHEMBL6853430

SCHEMBL6853430

Cc1nn(C(=O)OC(C)(C)C)c2ccc(-c3cncc(NC[C@H](Cc4ccccc4)NC(=O)OC(C)(C)C)c3)cc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.44
▸ APP P05067 4/20 0.42
▸ AKT1 P31749 1/20 0.41
▸ CDK2 P24941 2/20 0.39
▸ CDK7 P50613 2/20 0.39
▸ CYP3A4 P08684 6/20 0.38
▸ REN P00797 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ ACE P12821 1/20 0.35
▸ CTSK P43235 3/20 0.35
▸ CTSS P25774 2/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSL P07711 1/20 0.35

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
SCHEMBL6853427 1.00 ATM (0.44) ATMAPPAKT1CDK2CDK7
SCHEMBL6853498 0.86 NTRK1 (0.47) AKT1CDK2CDK7RENSCN9A
SCHEMBL6853500 0.86 NTRK1 (0.47) AKT1CDK2CDK7RENSCN9A
SCHEMBL6849856 0.82 ATM (0.42) ATMAPPSCN9AACECTSK
SCHEMBL6849858 0.82 ATM (0.42) ATMAPPSCN9AACECTSK
SCHEMBL6833591 0.80 PPARA (0.39) ATMAKT1CDK2CDK7CTSS
SCHEMBL6833590 0.80 PPARA (0.39) ATMAKT1CDK2CDK7CTSS
SCHEMBL4764962 0.79 ATM (0.39) ATMAPPAKT1CYP3A4ACE
SCHEMBL5474447 0.79 ATM (0.39) ATMAPPAKT1CYP3A4ACE
SCHEMBL4764967 0.79 ATM (0.39) ATMAPPAKT1CYP3A4ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 — — US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 — — US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 — — 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 (2 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ATM 353/4885APP 4630/4885AKT1 119/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ATM 353/4885APP 4630/4885AKT1 119/4885

“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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