SCHEMBL2648906

SCHEMBL2648906

[c]1cccnc1NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 1/20 0.53
FABP6 P51161 1/20 0.53
BACE1 P56817 1/20 0.47
CXCR4 P61073 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
EGFR P00533 1/20 0.43
NOS2 P35228 1/20 0.42
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL8485638 0.81 NPC1 (0.49) MEN1ALDH1A1KMT2AEGFRKDM4E
SCHEMBL28757289 0.78 RECQL (0.44) FABP1FABP6CXCR4KDM4EL3MBTL1
SCHEMBL15529224 0.77 KDM5B (0.45) FABP1FABP6BACE1MEN1ALDH1A1
SCHEMBL1413125 0.74 FABP1 (0.67) FABP1FABP6BACE1CXCR4MEN1
SCHEMBL1385358 0.73
SCHEMBL28475529 0.72 FABP1 (0.64) FABP1FABP6BACE1CXCR4MEN1
SCHEMBL8725876 0.72 HSD17B10 (0.42) MEN1ALDH1A1KMT2AKDM4ENPC1
SCHEMBL2021551 0.71 EGLN2 (0.38) MEN1KMT2AKDM4ENPC1
SCHEMBL2066722 0.70 KDM4E (0.36) MEN1ALDH1A1KMT2AEGFRKDM4E
SCHEMBL2230559 0.69 FABP1 (1.00) FABP1FABP6BACE1CXCR4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903096-B2 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2005-06-07 US 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
EP-2846803-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF Anvyl, LLC (US) 2015-03-18 EP disclosed
CN-104334175-A Alpha 7 nicotinic acetylcholine receptor allosteric modulators, their derivatives and uses thereof ANVYL LLC 2015-02-04 CN disclosed
WO-2013169889-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ANVYL LLC (US) 2013-11-14 WO disclosed
US-7345045-B2 Pyrido-pyrimidine compounds as medicaments SCIOS, INC. (US) 2008-03-18 US disclosed
EP-1107959-B1 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC (US) 2006-10-11 EP disclosed
US-20050220784-A1 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2005-10-06 US disclosed
US-20050171123-A1 Quinazoline derivatives as medicaments SCIOS, INC. 2005-08-04 US disclosed
US-6903096-B2 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2005-06-07 US disclosed
US-6476031-B1 Quinazoline derivatives as medicaments SCIOS, INC. 2002-11-05 US disclosed
US-6277989-B1 USEFUL IN TREATING CONDITIONS THAT ARE CHARACTERIZED BY ENHANCED P38 KINASE ACTIVITY AND/OR TRANSFORMING GROWTH FACTOR BETA (TGF-.BETA.) ACTIVITY SUCH AS INFLAMMATION, PROLIFERATIVE DISEASES, AND CERTAIN CARDIOVASCULAR DISORDERS SCIOS, INC. 2001-08-21 US 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-20050171123-A1 Quinazoline derivatives as medicaments TGFBR2, SMAD2, ADRB2 FABP1 4464/4885FABP6 4137/4885BACE1 1431/4885
US-20050220784-A1 Quinazoline derivatives as medicaments TGFBR2, SMAD2, ADRB2 FABP1 4464/4885FABP6 4137/4885BACE1 1431/4885

“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.