SCHEMBL2993435

SCHEMBL2993435

O=C1N=C(Nc2cc(NC(=O)N3CCCCC3)ccc2Cl)SC1=Cc1ccc2ncccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 2/20 0.42
RAB9A P51151 6/20 0.42
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
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
CLK3 P49761 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
SCHEMBL2993432 1.00 DYRK3 (0.42) DYRK3RAB9AKDM4ENPC1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4093784 0.95 TRPV1 (0.42) DYRK3RAB9AKDM4ENPC1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4093780 0.95 TRPV1 (0.42) DYRK3RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL3641882 0.89 OGA (0.42) DYRK3PIK3CDPIM1CSNK2A2PIK3CA
SCHEMBL3641881 0.89 OGA (0.42) DYRK3PIK3CDPIM1CSNK2A2PIK3CA
SCHEMBL2985521 0.88 OGA (0.43) DYRK3KDM4EHSD17B10ALDH1A1PIK3CD
SCHEMBL2985523 0.88 OGA (0.43) DYRK3KDM4EHSD17B10ALDH1A1PIK3CD
SCHEMBL2989471 0.87 DYRK3 (0.47) DYRK3RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL2989478 0.87 DYRK3 (0.47) DYRK3RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL2992956 0.86 DYRK3 (0.44) DYRK3RAB9AKDM4ENPC1SMN1; SMN2

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 DYRK3 3748/4885RAB9A 2892/4885KDM4E 2784/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 DYRK3 1471/4885RAB9A 1181/4885KDM4E 2665/4885

“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.