SCHEMBL2779359

SCHEMBL2779359

COc1ccccc1CN=C(N)Nc1cccc(Br)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
CDK9 P50750 1/20 0.51
CDK5 Q00535 1/20 0.51
DYRK1A Q13627 1/20 0.51
TAOK1 Q7L7X3 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
GRIN2B Q13224 3/20 0.49
GRIN1 Q05586 2/20 0.49
NR3C2 P08235 2/20 0.49
ATP4A P20648 1/20 0.41
ATP4B P51164 1/20 0.41
HTR7 P34969 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL2782661 0.88 HTR7 (0.55) CLK2GSK3AGSK3BCDK9CDK5
SCHEMBL2779637 0.88 ATP4A (0.43) CLK2GSK3AGSK3BCDK9CDK5
SCHEMBL2782840 0.87 CLK2 (0.40) CLK2GSK3AGSK3BCDK9CDK5
SCHEMBL2779421 0.85 GRIN2B (0.47) CLK2GSK3AGSK3BCDK9CDK5
SCHEMBL2779645 0.84 ATP4A (0.38) CLK2GSK3AGSK3BCDK9CDK5
SCHEMBL2778561 0.83 CLK4 (0.48) CLK2GSK3AGSK3BCDK9CDK5
SCHEMBL2780786 0.83 ATP4A (0.37) CLK2GSK3AGSK3BCDK9CDK5
SCHEMBL2780709 0.83 ATP4A (0.37) CLK2GSK3AGSK3BCDK9CDK5
SCHEMBL2782658 0.82 NR3C2 (0.54) CLK2GSK3AGSK3BCDK9CDK5
SCHEMBL2780813 0.81 CLK2 (0.49) CLK2GSK3AGSK3BCDK9CDK5

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 5 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 claimed
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 CLK2 3235/4885GSK3A 1010/4885GSK3B 821/4885

“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.