SCHEMBL1367503

SCHEMBL1367503

CN1CCN(Cc2cccc(Br)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
MC4R P32245 1/20 0.62
MBTD1 Q05BQ5 1/20 0.57
L3MBTL3 Q96JM7 1/20 0.57
SIGMAR1 Q99720 3/20 0.56
KDM4E B2RXH2 1/20 0.55
FAAH O00519 1/20 0.53
CHKA P35790 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
LMNA P02545 1/20 0.50
CA2 P00918 1/20 0.49
NCF1 P14598 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
PHGDH O43175 1/20 0.48

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
SCHEMBL13535291 0.87 MC4R (0.74) MC4RSIGMAR1KDM4ECHKAHRH3
SCHEMBL9025487 0.84 SMN1; SMN2 (0.96) SMN1; SMN2TDP1MBTD1L3MBTL3SIGMAR1
SCHEMBL3641561 0.82 SMN1; SMN2 (1.00) SMN1; SMN2TDP1MBTD1L3MBTL3SIGMAR1
SCHEMBL6818314 0.82 SMN1; SMN2 (0.93) SMN1; SMN2TDP1MBTD1L3MBTL3SIGMAR1
SCHEMBL29197757 0.81 SMN1; SMN2 (0.72) SMN1; SMN2TDP1MBTD1L3MBTL3SIGMAR1
SCHEMBL10076573 0.81 MC4R (0.65) MC4RKDM4EFAAHHRH3LMNA
SCHEMBL12830614 0.81 MC4R (0.65) TDP1MC4RSIGMAR1KDM4ECHKA
SCHEMBL10671525 0.80 SMN1; SMN2 (0.47) SMN1; SMN2TDP1MC4RMBTD1L3MBTL3
SCHEMBL2634372 0.80 SMN1; SMN2 (0.66) SMN1; SMN2TDP1MBTD1L3MBTL3SIGMAR1
SCHEMBL28315093 0.80 MBTD1 (0.67) SMN1; SMN2TDP1MBTD1L3MBTL3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110194769-A A kind of bis- target spot inhibitor of HDAC, CDK and the preparation method and application thereof 重庆医科大学 2019-09-03 CN disclosed
US-8633173-B2 Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives CEPHALON, INC (US) 2014-01-21 US disclosed
US-20130296312-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CEPHALON, INC. 2013-11-07 US disclosed
US-8501936-B2 Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives CEPHALON, INC. (US) 2013-08-06 US disclosed
CN-102459258-A Preparation and use of 1,2, 4-triazolo [1,5a ] pyridine derivatives CEPHALON INC 2012-05-16 CN disclosed
EP-2438066-A2 PREPARATION AND USES OF 1,2,4-TRIAZOLO [1,5a]PYRIDINE DERIVATIVES Cephalon, Inc. (US) 2012-04-11 EP disclosed
US-8067599-B2 Imidazo [4,5-B] pyridine and pyrrolo [2,3-B] pyridine protein kinase inhibitors HOFFMAN-LA ROCHE INC. (US) 2011-11-29 US disclosed
US-7932247-B2 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2011-04-26 US disclosed
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 US disclosed
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 US disclosed
WO-2009076602-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 WO disclosed
US-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-06-11 US disclosed
EP-2064213-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2009-06-03 EP disclosed
US-7494993-B2 Amide derivatives of 7-amino-3-phenyl-dihydropyrimido[4,5-d]pyrimidinones, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
WO-2008028617-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 WO disclosed
US-20080032970-A1 Amide Derivatives of 7-Amino-3-Phenyl-Dihydropyrimido[4,5-D]Pyrimidinones, Their Manufacture and Use as Pharmaceutical Agents HOFFMANN-LA ROCHE INC. 2008-02-07 US disclosed
WO-2007134449-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2007-11-29 WO disclosed
CN-1984914-A Amide derivatives of 7-amino-3-phenyl-dihydropyrimido [4, 5-d ] pyrimidinones, their preparation and use as protein kinase inhibitors HOFFMANN LA ROCHE (CH) 2007-06-20 CN disclosed
EP-1789417-A1 AMIDE DERIVATIVES OF 7-AMINO-3-PHENYL-DIHYDROPYRIMIDO [4,5-d]PYRIMIDINONES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-05-30 EP disclosed
WO-2006024487-A1 AMIDE DERIVATIVES OF 7-AMINO-3-PHENYL-DIHYDROPYRIMIDO [4,5-d]PYRIMIDINONES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-09 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 (4 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-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRNA3 SMN1; SMN2 3928/4885TDP1 3207/4885MC4R 388/4885
US-20130296312-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives JAK2, JAK1, JAK3 SMN1; SMN2 3360/4885TDP1 1611/4885MC4R 844/4885
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS APP, BACE1, IAPP SMN1; SMN2 2222/4885TDP1 1634/4885MC4R 3578/4885
US-20080032970-A1 Amide Derivatives of 7-Amino-3-Phenyl-Dihydropyrimido[4,5-D]Pyrimidinones, Their Manufacture and Use as Pharmaceutical Agents DPYD, GART, DDC SMN1; SMN2 3861/4885TDP1 2511/4885MC4R 2242/4885

“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.