SCHEMBL2780920

SCHEMBL2780920

COc1cccc(OC)c1CNC(=Nc1ncccc1-c1ccc(F)cc1)NOC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.37
ADORA2A P29274 3/20 0.37
SYK P43405 1/20 0.37
ROCK2 O75116 1/20 0.37
ALDH1A1 P00352 3/20 0.35
SQOR Q9Y6N5 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
DHODH Q02127 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2B Q13224 1/20 0.35
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 1/20 0.34
EED O75530 1/20 0.34
SUZ12 Q15022 1/20 0.34
EZH2 Q15910 1/20 0.34
POLB P06746 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
SCHEMBL2781640 0.92 CD274 (0.39) PLAUADORA2AROCK2ALDH1A1MAPT
SCHEMBL2782771 0.85 PLAU (0.41) PLAUADORA2AROCK2MAPK1
SCHEMBL2783939 0.84 PLAU (0.44) PLAUADORA2ASYKROCK2SQOR
SCHEMBL2781494 0.83 HTT (0.46) ALDH1A1NPSR1MAPK1POLBKMT2A
SCHEMBL2778265 0.81 ROCK2 (0.39) PLAUROCK2ALDH1A1LTB4RLTB4R2
SCHEMBL2781278 0.81 ROCK2 (0.42) ADORA2AROCK2ALDH1A1KCNH2MAPK1
SCHEMBL2783653 0.79 ADRA2A (0.41) PLAUADORA2AROCK2ALDH1A1NPSR1
SCHEMBL2380062 0.77 ROCK2 (0.42) ROCK2ALDH1A1MAPTMAPK1POLB
SCHEMBL2381520 0.76 ROCK2 (0.40) ADORA2AROCK2ALDH1A1MAPTMAPK1
SCHEMBL2783296 0.76 PLAU (0.46) PLAUADORA2ASYKCD274

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 32/4885SYK 3324/4885

“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.