SCHEMBL2996092

SCHEMBL2996092

CN1CCN(c2ccnc3ccc(C=C4SC(Nc5c(Cl)cccc5Cl)=NC4=O)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.48
MCHR1 Q99705 1/20 0.41
HTR6 P50406 4/20 0.39
HTR1A P08908 2/20 0.39
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 2/20 0.39
CSF1R P07333 4/20 0.38
KDM4E B2RXH2 1/20 0.37
CLK1 P49759 2/20 0.36
CLK2 P49760 2/20 0.36
DYRK1A Q13627 2/20 0.36
DYRK3 O43781 1/20 0.36
CSNK1E P49674 1/20 0.36
CLK3 P49761 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK2 Q92630 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK4 Q9NR20 1/20 0.36

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
SCHEMBL2996088 1.00 ENPP2 (0.48) ENPP2MCHR1HTR6HTR1AHTR1D
Hydrochloric Acid SCHEMBL4207753 0.99 ENPP2 (0.48) ENPP2MCHR1HTR6HTR1AHTR1D
Hydrochloric Acid SCHEMBL4207748 0.99 ENPP2 (0.48) ENPP2MCHR1HTR6HTR1AHTR1D
SCHEMBL2995682 0.92 KMT2A (0.41) ENPP2HTR6HTR1AHTR1DHTR1B
SCHEMBL4585273 0.92 KMT2A (0.41) ENPP2HTR6HTR1AHTR1DHTR1B
SCHEMBL2995679 0.92 KMT2A (0.41) ENPP2HTR6HTR1AHTR1DHTR1B
SCHEMBL4586474 0.91 KMT2A (0.41) ENPP2HTR6CLK1CLK2DYRK1A
SCHEMBL4586479 0.91 KMT2A (0.41) ENPP2HTR6CLK1CLK2DYRK1A
SCHEMBL2993546 0.90 MEN1 (0.40) ENPP2HTR6HTR1AHTR1DHTR1B
SCHEMBL2993532 0.90 HTR6 (0.47) HTR6HTR1AHTR1DHTR1BHTR2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170848-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US claimed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
US-20090170848-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 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 (3 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-20090170848-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA ENPP2 562/4885MCHR1 4843/4885HTR6 1179/4885
US-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 ENPP2 954/4885MCHR1 3324/4885HTR6 3461/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 ENPP2 508/4885MCHR1 159/4885HTR6 53/4885

“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.