SCHEMBL2997031

SCHEMBL2997031

Nc1cnc2ccc(/C=C3\SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.39
KMT2A Q03164 8/20 0.39
DYRK3 O43781 3/20 0.39
CLK1 P49759 2/20 0.39
DYRK1A Q13627 2/20 0.39
DYRK2 Q92630 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
CSNK1E P49674 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
GSK3B P49841 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK4 Q9NR20 1/20 0.39
CISD1 Q9NZ45 2/20 0.39
POLB P06746 3/20 0.38
XDH P47989 1/20 0.38
ALOX5 P09917 5/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
PIK3CD O00329 1/20 0.34

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
SCHEMBL2997036 1.00 MEN1 (0.39) MEN1KMT2ADYRK3CLK1DYRK1A
SCHEMBL2999161 0.88 DYRK3 (0.41) MEN1KMT2ADYRK3CLK1DYRK1A
SCHEMBL2999159 0.88 DYRK3 (0.41) MEN1KMT2ADYRK3CLK1DYRK1A
SCHEMBL2995162 0.86 CISD1 (0.39) MEN1KMT2ADYRK3CLK1DYRK1A
SCHEMBL2995154 0.86 CISD1 (0.39) MEN1KMT2ADYRK3CLK1DYRK1A
SCHEMBL2998818 0.85 MEN1 (0.41) MEN1KMT2ADYRK3CLK1DYRK1A
SCHEMBL2998823 0.85 MEN1 (0.41) MEN1KMT2ADYRK3CLK1DYRK1A
SCHEMBL4586253 0.85 MEN1 (0.41) MEN1KMT2ADYRK3CLK1DYRK1A
SCHEMBL2988227 0.85 ALOX5 (0.39) MEN1KMT2ADYRK3CLK1DYRK1A
SCHEMBL2988231 0.85 ALOX5 (0.39) MEN1KMT2ADYRK3CLK1DYRK1A

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-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP claimed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP claimed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 MEN1 3889/4885KMT2A 3294/4885DYRK3 1471/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 MEN1 37/4885KMT2A 2272/4885DYRK3 3748/4885

“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.