SCHEMBL6833631

SCHEMBL6833631

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.33
POLB P06746 3/20 0.33
MAPT P10636 2/20 0.33
TPSAB1 Q15661 2/20 0.31
TPSD1 Q9BZJ3 2/20 0.31
TPSG1 Q9NRR2 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
SSTR4 P31391 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL4891567 1.00 TDP1 (0.33) TDP1POLBMAPTTPSAB1TPSD1
Imidazole SCHEMBL4579994 0.92
SCHEMBL9320151 0.88 TPSAB1 (0.43) TDP1POLBMAPTTPSAB1TPSD1
SCHEMBL8189733 0.88 TDP1 (0.34) TDP1POLBMAPTNPSR1ATM
SCHEMBL26923344 0.87 HTR2C (0.34) MAPT
SCHEMBL29683397 0.87 HTR2C (0.34) MAPT
SCHEMBL29520467 0.85 MMP13 (0.32) TDP1POLBMAPT
SCHEMBL2133987 0.83 MDM2 (0.38) TPSAB1TPSD1TPSG1
SCHEMBL22610140 0.83 MDM2 (0.38) TPSAB1TPSD1TPSG1
SCHEMBL7267095 0.83 POLB (0.45) TDP1POLBMAPT

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 5 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
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP 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
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 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 (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 TDP1 1030/4885POLB 1491/4885MAPT 3336/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 TDP1 1030/4885POLB 1491/4885MAPT 3336/4885

“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.