SCHEMBL3637858

SCHEMBL3637858

O=C1N=C(Nc2cc(C(=O)NCCN3CCCC3)ccc2Cl)SC1=Cc1ccc2ncccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 1/20 0.43
PLD1 Q13393 1/20 0.43
KMT2A Q03164 8/20 0.43
MITF O75030 3/20 0.43
MEN1 O00255 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
KCNH2 Q12809 1/20 0.43
RAD52 P43351 3/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL3637855 1.00 PLD2 (0.43) PLD2PLD1KMT2AMITFMEN1
SCHEMBL2993819 0.99 KMT2A (0.44) PLD2PLD1KMT2AMITFMEN1
SCHEMBL3644636 0.99 KMT2A (0.44) PLD2PLD1KMT2AMITFMEN1
Trifluoroacetic Acid SCHEMBL4083712 0.95 KMT2A (0.41) PLD2PLD1KMT2AMITFMEN1
Trifluoroacetic Acid SCHEMBL4083720 0.95 KMT2A (0.41) PLD2PLD1KMT2AMITFMEN1
Trifluoroacetic Acid SCHEMBL4093537 0.95 KMT2A (0.42) PLD2PLD1KMT2AMITFMEN1
Trifluoroacetic Acid SCHEMBL4093545 0.95 KMT2A (0.42) PLD2PLD1KMT2AMITFMEN1
SCHEMBL2992909 0.94 KMT2A (0.44) PLD2PLD1KMT2AHTR1AADRA2A
SCHEMBL2992912 0.94 KMT2A (0.44) PLD2PLD1KMT2AHTR1AADRA2A
SCHEMBL2994980 0.90 DRD3 (0.48) PLD2PLD1KMT2AMITFMEN1

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-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
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 EP disclosed
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO 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 (1 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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 PLD2 3523/4885PLD1 3126/4885KMT2A 3294/4885

“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.