SCHEMBL1666037

SCHEMBL1666037

CC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
DYRK1A Q13627 2/20 0.51
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
KMT2A Q03164 5/20 0.48
GAA P10253 2/20 0.46
CYP1A2 P05177 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 6/20 0.43
MEN1 O00255 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
GFER P55789 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL10117774 0.80 ALDH1A1 (0.42) RAB9ADYRK1AKMT2AGAACYP1A2
SCHEMBL4519009 0.80 ADORA3 (0.53) RAB9AKMT2ALMNAMAPTMEN1
SCHEMBL2380377 0.80 ADORA3 (0.54) RAB9ADYRK1AKMT2AGAAMAPT
SCHEMBL8012523 0.80 XDH (0.44) KMT2AGAALMNAMAPTMEN1
SCHEMBL1201878 0.80 ADORA3 (0.55) RAB9AKMT2AGAALMNAMAPT
SCHEMBL10602903 0.78 MAPT (0.46) RAB9ADYRK1AKMT2ALMNAMAPT
SCHEMBL8012036 0.77 LMNA (0.41) KMT2AGAALMNAMAPTMEN1
SCHEMBL6238340 0.77 ADORA3 (0.56) DYRK1AKMT2AMAPTMEN1KDM4E
SCHEMBL6152117 0.77 EGLN2 (0.45) RAB9ADYRK1AKMT2AGAALMNA
SCHEMBL8017036 0.76 MAPT (0.51) RAB9AKMT2AGAALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150183770-A1 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2015-07-02 US disclosed
US-8921406-B2 5-ring heteroaromatic compounds and their use as binding partners for 5-HT5 receptors AbbVie Deutschland GmbH & Co. KG (DE) 2014-12-30 US disclosed
EP-1917251-B1 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO KG (DE) 2013-04-03 EP disclosed
US-20110207788-A1 5-Ring Heteroaromatic compounds and their use as binding partners for 5-ht5 receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-08-25 US disclosed
EP-2308852-A1 5-ring heteroaromatic compounds and their use as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-04-13 EP disclosed
EP-1917251-A2 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022947-A2 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 WO disclosed
US-6043254-A ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-28 US disclosed
EP-0131973-B1 NEW AMIDINE DERIVATIVES OF 2-SUBSTITUTED 4-PHENILIMIDAZOLE ISTITUTO DE ANGELI S.p.A. (IT) 1989-08-02 EP disclosed
US-4649150-A ANTISECRETORY AGENTS ISTITUTO DE ANGELI, S.P.A. (IT) 1987-03-10 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 (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-20150183770-A1 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR3A, HTR6 RAB9A 3409/4885DYRK1A 2561/4885CSNK2A2 2456/4885
US-20110207788-A1 5-Ring Heteroaromatic compounds and their use as binding partners for 5-ht5 receptors HTR5A, HTR3A, HTR6 RAB9A 3409/4885DYRK1A 2561/4885CSNK2A2 2456/4885

“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.