SCHEMBL3887392

SCHEMBL3887392

NC(=O)C(=O)c1c[nH]c2ccncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
NAMPT P43490 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.44
HASPIN Q8TF76 1/20 0.43
ROCK1 Q13464 1/20 0.43
HAT1 O14929 1/20 0.40
EP300 Q09472 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
NR4A2 P43354 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3887018 0.87 DYRK1A (0.46) CYP2C19ALDH1A1ATMHASPINHAT1
SCHEMBL22049722 0.87 ALDH1A1 (0.59) HTR6CYP3A4CYP2C19NAMPTALDH1A1
SCHEMBL369404 0.85 CYP2C19 (0.48) HTR6CYP3A4CYP2C19NAMPTHASPIN
Potassium Ion SCHEMBL3887398 0.84 NAMPT (0.47) HTR6CYP3A4CYP2C19NAMPTALDH1A1
SCHEMBL2817519 0.83 NAMPT (0.51) HTR6CYP3A4CYP2C19NAMPTALDH1A1
SCHEMBL3236458 0.80 NR4A2 (0.47) HTR6CYP3A4CYP2C19NAMPTHASPIN
SCHEMBL29688274 0.80 NR4A2 (0.47) HTR6CYP3A4CYP2C19NAMPTHASPIN
SCHEMBL12481581 0.80 HASPIN (0.64) HTR6CYP3A4CYP2C19NAMPTHASPIN
SCHEMBL10183822 0.77 GABRA1 (0.45) CYP3A4CYP2C19NAMPTHASPIN
SCHEMBL3010111 0.76 MAPK1 (0.62) HTR6CYP3A4CYP2C19NAMPTHASPIN

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 HTR6 1/4885CYP3A4 930/4885CYP2C19 513/4885
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR7 HTR6 1/4885CYP3A4 909/4885CYP2C19 499/4885
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR7 HTR6 1/4885CYP3A4 909/4885CYP2C19 499/4885

“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.