SCHEMBL3594791

SCHEMBL3594791

CC(C)(C)OC(=O)N(c1ccccc1)c1ncc(Br)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.39
▸ ATM Q13315 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CETP P11597 2/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ MT-CO2 P00403 1/20 0.36
▸ BACE1 P56817 2/20 0.36
▸ HPGDS O60760 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ PAX8 Q06710 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ SSTR4 P31391 1/20 0.34
▸ AKT1 P31749 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL19512762 0.87 L3MBTL1 (0.42) GSK3BATMTDP1L3MBTL1NPSR1
SCHEMBL5418382 0.84 PAX8 (0.38) GSK3BATMTDP1L3MBTL1NPSR1
SCHEMBL3590513 0.83 MAOB (0.44) CETPF2
SCHEMBL28689412 0.83 PTPN1 (0.38) TDP1CETPBACE1MEN1RAB9A
SCHEMBL28440815 0.81 ATM (0.46) GSK3BATMTDP1L3MBTL1NPSR1
SCHEMBL504005 0.80 L3MBTL1 (0.55) GSK3BATMTDP1L3MBTL1NPSR1
SCHEMBL26426403 0.79 GSK3B (0.34) GSK3BCETPMT-CO2
SCHEMBL22453044 0.79 LMNA (0.41) ATMTDP1MEN1RAB9AKMT2A
SCHEMBL5418145 0.78 BACE1 (0.35) GSK3BATMTDP1L3MBTL1MT-CO2
SCHEMBL14378932 0.78 NPSR1 (0.38) NPSR1MEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HORWELL DAVID CHRISTOPHER (GB) 2013-03-07 — — US claimed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 — — US claimed
EP-2010502-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES Senexis Limited (GB) 2009-01-07 — — EP claimed
WO-2007125351-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2007-11-08 — — WO claimed
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HORWELL DAVID CHRISTOPHER (GB) 2013-03-07 — — US disclosed
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HORWELL DAVID CHRISTOPHER (GB) 2013-03-07 — — US disclosed
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HORWELL DAVID CHRISTOPHER (GB) 2013-03-07 — — US disclosed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 — — US disclosed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 — — US disclosed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 — — US disclosed
US-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY 2010-01-28 — — 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 (3 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-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT GSK3B 944/4885ATM 2324/4885TDP1 22/4885
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT GSK3B 944/4885ATM 2324/4885TDP1 22/4885
US-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS QTRT1, QTRT2, NQO2 GSK3B 3674/4885ATM 4679/4885TDP1 1527/4885

“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.

Send feedback