SCHEMBL2648161

SCHEMBL2648161

[c]1ccnc(NCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 1/20 0.61
FABP6 P51161 1/20 0.61
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 1/20 0.56
CXCR4 P61073 1/20 0.53
NOS2 P35228 1/20 0.53
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
BACE1 P56817 1/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
ACHE P22303 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
SCHEMBL2230559 0.76 FABP1 (1.00) FABP1FABP6ALDH1A1MEN1KMT2A
SCHEMBL29664808 0.76 FABP1 (1.00) FABP1FABP6ALDH1A1MEN1KMT2A
SCHEMBL27585010 0.74 FABP1 (0.96) FABP1FABP6ALDH1A1MEN1KMT2A
Fluoride SCHEMBL28270594 0.74 FABP1 (0.96) FABP1FABP6ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4696844 0.74 FABP1 (0.96) FABP1FABP6ALDH1A1MEN1KMT2A
SCHEMBL988776 0.74 FABP1 (0.58) FABP1FABP6ALDH1A1MEN1KMT2A
SCHEMBL6090998 0.73 MAPT (0.46) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL5788495 0.72 FABP1 (0.51) FABP1FABP6ALDH1A1MEN1KMT2A
SCHEMBL1751921 0.72
SCHEMBL3953451 0.71 ALDH1A1 (1.00) FABP1FABP6ALDH1A1MEN1KMT2A

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US claimed
EP-1499607-B1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-12-07 EP claimed
US-6903096-B2 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2005-06-07 US claimed
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-02-24 US claimed
EP-1499607-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-01-26 EP claimed
WO-2003048154-A1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO) -QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2003-06-12 WO claimed
US-6476031-B1 Quinazoline derivatives as medicaments SCIOS, INC. 2002-11-05 US claimed
US-5776954-A GLUCAGON ANTAGONISTS MERCK & CO., INC. (US) 1998-07-07 US claimed
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
US-7345045-B2 Pyrido-pyrimidine compounds as medicaments SCIOS, INC. (US) 2008-03-18 US disclosed
CN-100371336-C Pyrrole derivatives for the treatment of cytokine mediated diseases SANKYO CO (JP) 2008-02-27 CN disclosed
EP-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 EP disclosed
US-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
CN-1294129-C Heteraryl-substituted porrole derivatives, their prep. and therapeutic use SANKYO CO (JP) 2007-01-10 CN disclosed
CN-1295069-A Heteraryl-substituted porrole derivatives, their prep. and therapeutic use SANKYO CO (JP) 2001-05-16 CN disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP disclosed
EP-0859771-A4 SUBSTITUTED PYRIDYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2000-03-15 EP disclosed
EP-0859771-A1 SUBSTITUTED PYRIDYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 1998-08-26 EP disclosed
US-5776954-A GLUCAGON ANTAGONISTS MERCK & CO., INC. (US) 1998-07-07 US disclosed
WO-1997016442-A1 SUBSTITUTED PYRIDYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1997-05-09 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 (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-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists UTS2R, NTSR2, PLAUR FABP1 3584/4885FABP6 2181/4885ALDH1A1 2993/4885
US-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 FABP1 4453/4885FABP6 4665/4885ALDH1A1 1438/4885

“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.