SCHEMBL2780709

SCHEMBL2780709

COc1cccc(Cl)c1CN=C(N)Nc1cccc(Br)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.37
ATP4B P51164 2/20 0.37
NR3C2 P08235 1/20 0.37
CDK5 Q00535 3/20 0.36
CDK5R1 Q15078 1/20 0.36
CLK2 P49760 2/20 0.36
DYRK1A Q13627 2/20 0.36
TAOK1 Q7L7X3 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK9 P50750 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
MC4R P32245 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL2779637 0.92 ATP4A (0.43) ATP4AATP4BNR3C2CDK5CLK2
SCHEMBL2779645 0.88 ATP4A (0.38) ATP4AATP4BNR3C2CDK5CLK2
SCHEMBL2780083 0.87 DPP4 (0.45) ATP4AATP4BCDK5CDK5R1CHRNB2
SCHEMBL2780786 0.87 ATP4A (0.37) ATP4AATP4BNR3C2CDK5CLK2
SCHEMBL2779359 0.83 CLK2 (0.51) ATP4AATP4BNR3C2CDK5CLK2
SCHEMBL2780706 0.76 LMNA (0.39) NR3C2CDK5CDK5R1CLK2DYRK1A
SCHEMBL2378544 0.76 MAPK14 (0.47) MEN1POLBKMT2AMALT1NPC1
SCHEMBL2782766 0.75 ATP4A (0.41) ATP4AATP4BNR3C2CDK5CLK2
SCHEMBL2782661 0.74 HTR7 (0.55) NR3C2CDK5CLK2DYRK1ATAOK1
SCHEMBL2782840 0.73 CLK2 (0.40) ATP4AATP4BNR3C2CDK5CLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 US disclosed
EP-1917244-A2 HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022964-A2 HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 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 (1 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-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E ATP4A 1841/4885ATP4B 1337/4885NR3C2 620/4885

“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.