SCHEMBL2993532

SCHEMBL2993532

O=C1N=C(Nc2c(Cl)cccc2Cl)SC1=Cc1ccc2nccc(N3CCNCC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.47
HTR1A P08908 4/20 0.46
HTR1D P28221 4/20 0.46
HTR1B P28222 4/20 0.46
HTR2A P28223 2/20 0.46
HTR7 P34969 2/20 0.46
DRD3 P35462 1/20 0.46
NCF1 P14598 4/20 0.43
ADRB2 P07550 2/20 0.41
PIM1 P11309 3/20 0.39
PIM3 Q86V86 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CLK1 P49759 2/20 0.38
CLK2 P49760 2/20 0.38
DYRK1A Q13627 2/20 0.38
DYRK3 O43781 1/20 0.38
CSNK1E P49674 1/20 0.38
CLK3 P49761 1/20 0.38

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
SCHEMBL4587489 1.00 HTR6 (0.47) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL2993529 1.00 HTR6 (0.47) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL4585273 0.92 KMT2A (0.41) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL2995679 0.92 KMT2A (0.41) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL2995682 0.92 KMT2A (0.41) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL4586479 0.91 KMT2A (0.41) HTR6PIM1CLK1CLK2DYRK1A
SCHEMBL4586474 0.91 KMT2A (0.41) HTR6PIM1CLK1CLK2DYRK1A
SCHEMBL2996092 0.90 ENPP2 (0.48) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL2996088 0.90 ENPP2 (0.48) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL2993546 0.90 MEN1 (0.40) 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 11 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
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 EP disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO 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 HTR6 3461/4885HTR1A 4009/4885HTR1D 4264/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 HTR6 53/4885HTR1A 39/4885HTR1D 271/4885

“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.