SCHEMBL3889448

SCHEMBL3889448

NC(=O)C(=O)c1c[nH]c2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.47
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.44
HAT1 O14929 1/20 0.42
EP300 Q09472 1/20 0.42
PSMD14 O00487 1/20 0.40
KDM4E B2RXH2 2/20 0.40
TET2 Q6N021 1/20 0.39
TET1 Q8NFU7 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
MAP2K1 Q02750 1/20 0.38
CAMKK2 Q96RR4 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
MMP2 P08253 1/20 0.37
GRM4 Q14833 1/20 0.37
PBRM1 Q86U86 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
SCHEMBL30436129 0.87 PARP1 (0.58) PARP1CYP2C19ALDH1A1ATMHAT1
SCHEMBL1474939 0.87 PARP1 (0.58) PARP1CYP2C19ALDH1A1ATMHAT1
SCHEMBL6432355 0.85 CYP2C19 (0.49) PARP1CYP2C19ALDH1A1HAT1EP300
Potassium Ion SCHEMBL7064340 0.84 CYP2C19 (0.46) PARP1CYP2C19ALDH1A1ATMHAT1
SCHEMBL29600892 0.81 TET2 (0.51) PARP1CYP2C19ALDH1A1HAT1EP300
SCHEMBL2816680 0.81 TET2 (0.51) PARP1CYP2C19ALDH1A1HAT1EP300
SCHEMBL7064347 0.80 MAP2K1 (0.48) PARP1CYP2C19ALDH1A1HAT1EP300
SCHEMBL12479995 0.80 PBRM1 (0.54) PARP1CYP2C19ALDH1A1HAT1EP300
Hydrochloric Acid SCHEMBL2040536 0.80 TET2 (0.50) PARP1CYP2C19ALDH1A1HAT1EP300
SCHEMBL29601281 0.80 PBRM1 (0.54) PARP1CYP2C19ALDH1A1HAT1EP300

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 14 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
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 PARP1 2700/4885CYP2C19 513/4885ALDH1A1 812/4885
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR7 PARP1 2989/4885CYP2C19 499/4885ALDH1A1 1013/4885
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR7 PARP1 2989/4885CYP2C19 499/4885ALDH1A1 1013/4885

“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.