SCHEMBL3887018

SCHEMBL3887018

NC(=O)C(=O)c1c[nH]c2cnccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.46
GSK3B P49841 4/20 0.46
NFATC1 O95644 4/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ATM Q13315 1/20 0.44
HASPIN Q8TF76 1/20 0.43
PDPK1 O15530 1/20 0.41
TGFBR1 P36897 1/20 0.41
IKBKE Q14164 1/20 0.41
MAP2 P11137 1/20 0.40
HAT1 O14929 2/20 0.40
EP300 Q09472 2/20 0.40
CDK2 P24941 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
IGF1R P08069 1/20 0.39
GPR84 Q9NQS5 1/20 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
SCHEMBL3887392 0.87 HTR6 (0.46) CYP2C19ALDH1A1ATMHASPINHAT1
SCHEMBL4357845 0.87 ALDH1A1 (0.59) DYRK1AGSK3BNFATC1CYP2D6CYP2C9
SCHEMBL2628950 0.85 CYP2D6 (0.48) DYRK1AGSK3BNFATC1CYP2D6CYP2C9
Potassium Ion SCHEMBL1762988 0.84 DYRK1A (0.46) DYRK1AGSK3BNFATC1CYP2D6CYP2C9
SCHEMBL30101234 0.83 DYRK1A (0.51) DYRK1AGSK3BNFATC1CYP2D6CYP2C9
SCHEMBL2052704 0.83 DYRK1A (0.51) DYRK1AGSK3BNFATC1CYP2D6CYP2C9
SCHEMBL1763120 0.80 CYP2D6 (0.45) DYRK1AGSK3BNFATC1CYP2D6CYP2C9
SCHEMBL3217902 0.80 HASPIN (0.64) DYRK1AGSK3BNFATC1CYP2D6CYP2C9
SCHEMBL22300127 0.80 DYRK1A (0.49) DYRK1AGSK3BNFATC1CYP2D6CYP2C9
SCHEMBL30924488 0.80 HASPIN (0.64) DYRK1AGSK3BNFATC1CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585876-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-08 US disclosed
US-7585876-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-08 US disclosed
US-7585876-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-08 US disclosed
EP-1456206-B1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2008-05-21 EP disclosed
EP-1456206-B1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2008-05-21 EP disclosed
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-05-15 US disclosed
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-05-15 US disclosed
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-05-15 US disclosed
US-7297705-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-11-20 US disclosed
US-7297705-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-11-20 US disclosed
US-7297705-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-11-20 US disclosed
CN-1620455-A Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2005-05-25 CN disclosed
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-01-27 US disclosed
US-6800640-B2 ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-10-05 US disclosed
US-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-09-11 US 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-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A DYRK1A 1208/4885GSK3B 3476/4885NFATC1 2518/4885
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR7 DYRK1A 1132/4885GSK3B 3368/4885NFATC1 2563/4885
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR7 DYRK1A 1132/4885GSK3B 3368/4885NFATC1 2563/4885

“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.