SCHEMBL2988902

SCHEMBL2988902

O=C1N=C(Nc2cc(NC(=O)C3CCC3)ccc2Cl)SC1=Cc1ccc2nccnc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.40
CLK1 P49759 2/20 0.40
DYRK1A Q13627 2/20 0.40
DYRK2 Q92630 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
DYRK3 O43781 1/20 0.40
CSNK1E P49674 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
GSK3B P49841 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK4 Q9NR20 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
CISD1 Q9NZ45 2/20 0.39

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
SCHEMBL2988900 1.00 EGFR (0.40) EGFRCLK1DYRK1ADYRK2DYRK1B
SCHEMBL2993521 0.98 EGFR (0.40) EGFRCLK1DYRK1ADYRK2DYRK1B
SCHEMBL2993517 0.98 EGFR (0.40) EGFRCLK1DYRK1ADYRK2DYRK1B
SCHEMBL3639987 0.94 DYRK1A (0.41) EGFRCLK1DYRK1ADYRK2DYRK1B
SCHEMBL3639983 0.94 DYRK1A (0.41) EGFRCLK1DYRK1ADYRK2DYRK1B
SCHEMBL2992632 0.90 DYRK3 (0.44) EGFRCLK1DYRK1ADYRK2DYRK1B
SCHEMBL2992635 0.90 DYRK3 (0.44) EGFRCLK1DYRK1ADYRK2DYRK1B
Trifluoroacetic Acid SCHEMBL4090018 0.89 DYRK1A (0.37) EGFRCLK1DYRK1ADYRK2DYRK1B
Trifluoroacetic Acid SCHEMBL4090023 0.89 DYRK1A (0.37) EGFRCLK1DYRK1ADYRK2DYRK1B
SCHEMBL2998969 0.89 DYRK3 (0.44) EGFRCLK1DYRK1ADYRK2DYRK1B

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 7 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
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 EGFR 2273/4885CLK1 4211/4885DYRK1A 2870/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 EGFR 4159/4885CLK1 1393/4885DYRK1A 1531/4885

“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.