SCHEMBL6519504

SCHEMBL6519504

CNC(=O)c1ccc(-c2ccc(OC3CN(Cc4ccc(C(F)(F)F)cc4)C3)cn2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
SCN9A Q15858 4/20 0.44
STAT3 P40763 8/20 0.41
KCNH2 Q12809 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
ADRB2 P07550 1/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
JAK3 P52333 2/20 0.39
STAT1 P42224 1/20 0.39
STAT5A P42229 1/20 0.39
PRKAA2 P54646 1/20 0.39
CHRM4 P08173 1/20 0.39
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38

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
SCHEMBL3711560 0.92 PARP1 (0.41) PARP1STAT3GPR119ADRB2PRKAA2
SCHEMBL6520781 0.92 ADRB2 (0.41) PARP1STAT3ADRB2PRKAA2CHRM4
SCHEMBL3659359 0.91 STAT3 (0.43) PARP1STAT3ADRB2PRKAA2HIF1A
SCHEMBL3659855 0.91 STAT3 (0.45) STAT3ADRB2PRKAA2
SCHEMBL12788268 0.91 CHRM4 (0.43) PARP1STAT3CHRM4
SCHEMBL6520829 0.90 STAT3 (0.42) PARP1STAT3ADRB2PRKAA2
SCHEMBL6524325 0.89 CHRM2 (0.41) PARP1SCN9ASTAT3ADRB2CHRM4
SCHEMBL6524323 0.89 CHRM2 (0.41) PARP1SCN9ASTAT3ADRB2CHRM4
SCHEMBL6519844 0.89 ALOX5AP (0.42) PARP1STAT3ADRB2PRKAA2
SCHEMBL6517503 0.89 ALOX5AP (0.42) PARP1STAT3ADRB2PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2011-03-10 US disclosed
US-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2011-03-10 US disclosed
US-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2011-03-10 US disclosed
WO-2009050522-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-04-23 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-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists GPR119, GIPR, GPR39 PARP1 4791/4885SCN9A 424/4885STAT3 1637/4885

“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.