SCHEMBL2995096

SCHEMBL2995096

O=C1N=C(Nc2cc(NC(=O)c3ccccc3)ccc2Cl)SC1=Cc1ccc2ncccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.53
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
NPC1 O15118 8/20 0.44
RAB9A P51151 8/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DYRK3 O43781 2/20 0.44
POLB P06746 1/20 0.44
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CYP3A4 P08684 1/20 0.43
GRM4 Q14833 1/20 0.41
EGFR P00533 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAPT P10636 2/20 0.41
PIK3CD O00329 1/20 0.40

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
SCHEMBL2995094 1.00 PABPC1 (0.53) PABPC1PDGFRBPDGFRANPC1RAB9A
Trifluoroacetic Acid SCHEMBL4095087 0.95 PABPC1 (0.48) PABPC1PDGFRBPDGFRANPC1RAB9A
Trifluoroacetic Acid SCHEMBL4095081 0.95 PABPC1 (0.48) PABPC1PDGFRBPDGFRANPC1RAB9A
SCHEMBL2992974 0.93 PABPC1 (0.53) PABPC1NPC1RAB9AALDH1A1HTT
SCHEMBL2992977 0.93 PABPC1 (0.53) PABPC1NPC1RAB9AALDH1A1HTT
SCHEMBL2996319 0.93 NPC1 (0.45) PABPC1NPC1RAB9AHTTDYRK3
SCHEMBL2996317 0.93 NPC1 (0.45) PABPC1NPC1RAB9AHTTDYRK3
SCHEMBL2989478 0.92 DYRK3 (0.47) PABPC1NPC1RAB9AALDH1A1HTT
SCHEMBL2989471 0.92 DYRK3 (0.47) PABPC1NPC1RAB9AALDH1A1HTT
SCHEMBL4946166 0.88 DYRK3 (0.42) PABPC1NPC1RAB9AALDH1A1HTT

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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US claimed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP claimed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 WO claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 EP disclosed
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP disclosed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 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 (2 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-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 PABPC1 3712/4885PDGFRB 321/4885PDGFRA 649/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 PABPC1 1548/4885PDGFRB 3738/4885PDGFRA 3677/4885

“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.