SCHEMBL2998972

SCHEMBL2998972

O=C1N=C(Nc2cc(NC(=O)C3CCCC3)ccc2Cl)SC1=Cc1ccc2ncccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 2/20 0.44
EPHX2 P34913 1/20 0.42
ACKR3 P25106 1/20 0.41
PIK3CD O00329 1/20 0.41
PIM1 P11309 1/20 0.41
CSNK2A2 P19784 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
CLK1 P49759 1/20 0.41
CLK3 P49761 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
DYRK1A Q13627 1/20 0.41
HASPIN Q8TF76 1/20 0.41
DYRK2 Q92630 1/20 0.41
MYLK2 Q9H1R3 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
STK17A Q9UEE5 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
GRM4 Q14833 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
SCHEMBL2998969 1.00 DYRK3 (0.44) DYRK3EPHX2ACKR3PIK3CDPIM1
SCHEMBL2992956 0.99 DYRK3 (0.44) DYRK3EPHX2ACKR3PIK3CDPIM1
SCHEMBL2992954 0.99 DYRK3 (0.44) DYRK3EPHX2ACKR3PIK3CDPIM1
SCHEMBL2992632 0.98 DYRK3 (0.44) DYRK3EPHX2ACKR3PIK3CDPIM1
SCHEMBL2992635 0.98 DYRK3 (0.44) DYRK3EPHX2ACKR3PIK3CDPIM1
SCHEMBL3641944 0.95 DYRK3 (0.46) DYRK3EPHX2ACKR3PIK3CDPIM1
SCHEMBL3641946 0.95 DYRK3 (0.46) DYRK3EPHX2ACKR3PIK3CDPIM1
SCHEMBL2993517 0.90 EGFR (0.40) DYRK3PIK3CDCSNK2A2PIK3CAPIK3CG
SCHEMBL2993521 0.90 EGFR (0.40) DYRK3PIK3CDCSNK2A2PIK3CAPIK3CG
Trifluoroacetic Acid SCHEMBL4090162 0.90 DYRK3 (0.42) DYRK3EPHX2ACKR3PIK3CDPIM1

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 5 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
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US 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 3748/4885EPHX2 4832/4885ACKR3 1257/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 DYRK3 1471/4885EPHX2 3147/4885ACKR3 1921/4885

“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.