SCHEMBL2782771

SCHEMBL2782771

COc1cccc(OC)c1CNC(=Nc1ncccc1C)NOC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.41
ADORA2A P29274 7/20 0.40
ADORA1 P30542 3/20 0.38
ROCK2 O75116 1/20 0.37
GFER P55789 1/20 0.37
MAPK1 P28482 2/20 0.36
CTSA P10619 1/20 0.35
ATP4A P20648 1/20 0.34
ATP4B P51164 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
SCHEMBL2778983 0.89 POLB (0.44)
SCHEMBL2781640 0.87 CD274 (0.39) PLAUADORA2AADORA1ROCK2CTSA
SCHEMBL2780920 0.85 PLAU (0.37) PLAUADORA2AROCK2MAPK1
SCHEMBL2783653 0.83 ADRA2A (0.41) PLAUADORA2AADORA1ROCK2
SCHEMBL2780840 0.81 PLAU (0.50) PLAUADORA2AADORA1GFERMAPK1
SCHEMBL2779067 0.80 PLAU (0.42) PLAUADORA2AROCK2MAPK1
SCHEMBL2381520 0.80 ROCK2 (0.40) ADORA2AROCK2MAPK1
SCHEMBL2782503 0.78 PLAU (0.49) PLAUADORA2AADORA1GFERMAPK1
SCHEMBL2381327 0.78 KDM4E (0.47) ROCK2MAPK1
SCHEMBL2379775 0.77 HIF1A (0.40) ADORA2AADORA1ROCK2

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 2 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

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 3291/4885ADORA2A 32/4885ADORA1 44/4885

“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.