SCHEMBL1171999

SCHEMBL1171999

CS(=O)(=O)c1cccc(C2(N)N=C(N)C=CN2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.38
NPY5R Q15761 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
JAK2 O60674 1/20 0.33
KIF11 P52732 1/20 0.33
LOXL2 Q9Y4K0 3/20 0.33
TNNI3K Q59H18 1/20 0.33
G6PD P11413 1/20 0.33
IDE P14735 1/20 0.33
CNR2 P34972 1/20 0.32
STK10 O94804 1/20 0.32
SLK Q9H2G2 1/20 0.32
LOX P28300 1/20 0.32

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
SCHEMBL30454010 0.86 ROCK1 (0.32) ROCK1
SCHEMBL16458709 0.78 ROCK1 (0.35) ROCK1NPY5ROPRM1OPRL1JAK2
SCHEMBL1172120 0.77 BACE1 (0.38) JAK2
SCHEMBL1172013 0.76 BACE1 (0.42)
SCHEMBL1172351 0.75 BACE1 (0.38)
SCHEMBL30157203 0.73 JAK2 (0.31) JAK2
SCHEMBL1172321 0.73 KDM1A (0.43)
SCHEMBL1172314 0.73 TP53 (0.45)
SCHEMBL26922933 0.69 OPRM1 (0.35) ROCK1NPY5ROPRM1OPRL1JAK2
SCHEMBL13386466 0.69 CNR2 (0.42) OPRM1OPRL1CNR2

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-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 US disclosed
EP-1981856-A2 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2008-10-22 EP disclosed
WO-2007085833-A2 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-08-02 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-20110046108-A1 PYRIMIDINE DERIVATIVES EPHB4, EPHB1, EPHB3 ROCK1 539/4885NPY5R 2227/4885OPRM1 4354/4885

“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.