SCHEMBL3087005

SCHEMBL3087005

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.60
GPR119 Q8TDV5 1/20 0.42
SCD O00767 1/20 0.42
USP30 Q70CQ3 2/20 0.40
RET P07949 3/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
KCNH2 Q12809 1/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
RORC P51449 2/20 0.36
SCN9A Q15858 2/20 0.35
F2 P00734 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
SCHEMBL15742917 0.86 ROCK2 (0.60) ROCK2GPR119SCDUSP30RET
SCHEMBL13144317 0.86 ROCK2 (0.57) ROCK2GPR119SCDUSP30RET
SCHEMBL25445548 0.85 ROCK2 (0.56) ROCK2GPR119SCDUSP30
SCHEMBL2426228 0.84 ROCK2 (0.56) ROCK2GPR119SCDUSP30NPC1
SCHEMBL3093032 0.84 ROCK2 (0.50) ROCK2SCDUSP30RETGSK3B
SCHEMBL22042387 0.83 ROCK2 (0.55) ROCK2GPR119SCDUSP30RET
SCHEMBL2428600 0.83 ROCK2 (0.54) ROCK2GPR119SCDUSP30GSK3B
SCHEMBL13267260 0.82 ROCK2 (0.54) ROCK2GPR119SCDUSP30
SCHEMBL31147953 0.82 ROCK2 (0.51) ROCK2GPR119SCDGSK3BDYRK1A
SCHEMBL26130879 0.82 ROCK2 (0.51) ROCK2GPR119SCDRETGSK3B

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 2 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
WO-2009007751-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 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 2004/4885GPR119 1192/4885SCD 1710/4885

“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.