SCHEMBL2783265

SCHEMBL2783265

COc1cccc(OC)c1CNC(N)=Nc1cccc(-c2ccc(F)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.40
ROCK2 O75116 2/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC10A2 Q12908 1/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
ROCK1 Q13464 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 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
SCHEMBL2782184 0.91 AGTR1 (0.39) ROCK2KMT2ALMNAMAPK1HTT
SCHEMBL17620893 0.82 FYN (0.42) ROCK2POLBKMT2ALMNAMAPK1
SCHEMBL2382010 0.82 ATP4A (0.55) MAPT
SCHEMBL2421873 0.82 ROCK2 (0.41) SCN9AROCK2POLBKMT2ASLC10A2
SCHEMBL2782723 0.81 ADORA2A (0.39) ROCK2KMT2ALMNAHTT
SCHEMBL2781316 0.81 KMT2A (0.49) ROCK2KMT2ALMNAMAPK1HTT
SCHEMBL2782255 0.81 PLAU (0.41) ROCK2POLBKMT2ALMNAMAPK1
SCHEMBL2784453 0.78 GRIN2B (0.48) ROCK2KMT2AMAPK1HTTTP53
SCHEMBL2379560 0.77 ATP4A (0.52) ROCK2KMT2AMAPTROCK1
SCHEMBL2379242 0.77 ATP4A (0.42) ROCK2POLBKMT2ALMNAHTT

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 SCN9A 1474/4885ROCK2 1943/4885POLB 4100/4885

“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.