Sugi Predict

Sugi Predict / Compounds / SCHEMBL1597938

SCHEMBL1597938

SCHEMBL1597938

COCCn1cc(-c2ccc(F)cc2)c(C(=O)[C@@H](Nc2ccc(C#N)cn2)C2CCCCN2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.39
▸ PDPK1 O15530 1/20 0.36
▸ EP300 Q09472 6/20 0.36
▸ EGLN1 Q9GZT9 2/20 0.35
▸ CCNK O75909 3/20 0.34
▸ CDK12 Q9NYV4 3/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CTSK P43235 2/20 0.34
▸ CTSC P53634 2/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ HAT1 O14929 2/20 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
SCHEMBL1597869 0.88 HCRTR1 (0.39) HCRTR1EP300CCNKCDK12CCNA2
SCHEMBL1597244 0.79 HCRTR1 (0.37) HCRTR1EP300
SCHEMBL1597174 0.78 CSNK1D (0.35) HCRTR1EP300CCNA2CDK2CTSC
SCHEMBL1597936 0.77 HCRTR1 (0.52) HCRTR1DPP4
SCHEMBL1597835 0.76 CSNK1D (0.35) HCRTR1CTSC
SCHEMBL1597669 0.75 HCRTR1 (0.55) HCRTR1
SCHEMBL1597124 0.72 RET (0.32) HCRTR1DPP4
SCHEMBL1598615 0.72 CCNA2 (0.35) HCRTR1EP300EGLN1CCNKCDK12
SCHEMBL1597995 0.71 HCRTR1 (0.38) HCRTR1IRAK4
SCHEMBL1597483 0.70 CSNK1D (0.39) HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012073-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-08 — — US claimed
EP-1385845-B1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2008-01-09 — — EP claimed
US-7919507-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2011-04-05 — — US disclosed
US-7741329-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2010-06-22 — — US disclosed
US-20090093478-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.I.C. 2009-04-09 — — US disclosed
US-20090029986-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-29 — — US disclosed
US-20090012073-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-08 — — US disclosed
US-7432270-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM P.L.C. (GB) 2008-10-07 — — US disclosed
EP-1385845-B1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2008-01-09 — — EP 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-20090012073-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB HCRTR1 417/4885PDPK1 3524/4885EP300 640/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB HCRTR1 417/4885PDPK1 3524/4885EP300 640/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB HCRTR1 417/4885PDPK1 3524/4885EP300 640/4885

“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.