SCHEMBL3085374

SCHEMBL3085374

CC(C)(C)OC(=O)n1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.49
USP30 Q70CQ3 2/20 0.44
LIPG Q9Y5X9 7/20 0.43
LPL P06858 6/20 0.43
FFAR1 O14842 1/20 0.41
AAK1 Q2M2I8 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
SCD O00767 1/20 0.39
DGAT1 O75907 1/20 0.39
GPR119 Q8TDV5 1/20 0.37
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36

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
SCHEMBL3089708 0.87 SCD (0.43) ROCK2USP30LIPGLPLFFAR1
SCHEMBL30483039 0.87 SCD (0.43) ROCK2USP30LIPGLPLFFAR1
SCHEMBL141413 0.85 FFAR1 (0.52) ROCK2USP30FFAR1AAK1PRMT5
SCHEMBL25414529 0.83 FFAR1 (0.46) ROCK2USP30LIPGLPLFFAR1
SCHEMBL3095572 0.83 LIPG (0.53) LIPGLPLFFAR1DGAT1
SCHEMBL20511652 0.81 SCD (0.42) ROCK2USP30FFAR1PRMT5WDR77
SCHEMBL18202880 0.78 FFAR1 (0.43) ROCK2USP30FFAR1AAK1PRMT5
SCHEMBL19341509 0.78 FFAR1 (0.44) ROCK2USP30FFAR1AAK1PRMT5
SCHEMBL28507530 0.78 USP30 (0.43) USP30LIPGLPLFFAR1AAK1
SCHEMBL25826104 0.78 FFAR1 (0.44) ROCK2USP30FFAR1AAK1PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
EP-2176256-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2010-04-21 EP disclosed
EP-2162445-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-03-17 EP disclosed
WO-2009007751-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
WO-2009007751-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 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-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES MTOR, PIK3CA, PIK3CD ROCK2 2004/4885USP30 4369/4885LIPG 1730/4885

“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.