SCHEMBL2992974

SCHEMBL2992974

O=C1N=C(Nc2ccc(NC(=O)c3ccccc3)cc2Cl)S/C1=C\c1ccc2ncccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.53
GRM4 Q14833 2/20 0.48
NPC1 O15118 8/20 0.44
RAB9A P51151 8/20 0.44
ALDH1A1 P00352 3/20 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
HTT P42858 1/20 0.42
PIK3CD O00329 1/20 0.40
PIM1 P11309 1/20 0.40
CSNK2A2 P19784 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
CLK1 P49759 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
SCHEMBL2992977 1.00 PABPC1 (0.53) PABPC1GRM4NPC1RAB9AALDH1A1
SCHEMBL2995094 0.93 PABPC1 (0.53) PABPC1GRM4NPC1RAB9AALDH1A1
SCHEMBL2995096 0.93 PABPC1 (0.53) PABPC1GRM4NPC1RAB9AALDH1A1
SCHEMBL2993391 0.92 DYRK3 (0.47) PABPC1NPC1RAB9AALDH1A1DYRK3
SCHEMBL2993387 0.92 DYRK3 (0.47) PABPC1NPC1RAB9AALDH1A1DYRK3
Trifluoroacetic Acid SCHEMBL4095081 0.89 PABPC1 (0.48) PABPC1GRM4NPC1RAB9AALDH1A1
Trifluoroacetic Acid SCHEMBL4095087 0.89 PABPC1 (0.48) PABPC1GRM4NPC1RAB9AALDH1A1
SCHEMBL2988284 0.89 CISD1 (0.45) PABPC1NPC1RAB9AALDH1A1DYRK3
SCHEMBL2988279 0.89 CISD1 (0.45) PABPC1NPC1RAB9AALDH1A1DYRK3
SCHEMBL2994769 0.87 GRM4 (0.44) PABPC1GRM4NPC1RAB9AALDH1A1

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 3712/4885GRM4 177/4885NPC1 2692/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 PABPC1 1548/4885GRM4 4693/4885NPC1 2040/4885

“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.