SCHEMBL2779935

SCHEMBL2779935

COc1cccc(OC)c1CN=C(N)Nc1ncccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.40
CLK2 P49760 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK9 P50750 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
ATP4A P20648 3/20 0.39
ATP4B P51164 3/20 0.39
GRM5 P41594 2/20 0.36
ASIC3 Q9UHC3 1/20 0.36
GFER P55789 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL2782907 0.87 CLK2 (0.53) PLAUCLK2GSK3AGSK3BCDK9
SCHEMBL2778464 0.83 NPC1 (0.50) PLAUCLK2GSK3AGSK3BCDK9
SCHEMBL2780221 0.82 GFER (0.36) PLAUATP4AATP4BGRM5GFER
SCHEMBL2782440 0.78 NR3C2 (0.42) PLAUCLK2GSK3AGSK3BCDK9
SCHEMBL2779637 0.76 ATP4A (0.43) CLK2GSK3AGSK3BCDK9CDK5
SCHEMBL2779928 0.75 HTR2A (0.38) ATP4AATP4BGRM5ASIC3GFER
SCHEMBL2778479 0.71 HCRTR1 (0.44) CLK2GSK3AGSK3BCDK9CDK5
SCHEMBL2379566 0.71 ATP4A (0.55) CLK2GSK3AGSK3BCDK9CDK5
SCHEMBL2780375 0.70 KDM4E (0.53) RAB9ATP53ALDH1A1GAAMAPT
Acetic Acid SCHEMBL2780217 0.70 MAPT (0.41) ATP4AATP4BGFERRAB9APKM

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 3 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

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 PLAU 3291/4885CLK2 3235/4885GSK3A 1010/4885

“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.