SCHEMBL2782255

SCHEMBL2782255

COc1cccc(OC)c1CNC(N)=Nc1cc(-c2ccc(F)cc2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.41
FYN P06241 3/20 0.39
SMO Q99835 1/20 0.38
ROCK2 O75116 4/20 0.38
KIT P10721 2/20 0.38
ROCK1 Q13464 2/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 3/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
MAP3K11 Q16584 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
SCHEMBL2778797 0.91 PLAU (0.52) PLAUFYNROCK2ROCK1KMT2A
SCHEMBL17620893 0.85 FYN (0.42) FYNSMOROCK2KITROCK1
SCHEMBL2778265 0.84 ROCK2 (0.39) PLAUSMOROCK2ROCK1POLB
SCHEMBL2780611 0.83 PLAU (0.49) PLAUROCK2POLBKMT2AMAPK1
SCHEMBL2783265 0.81 SCN9A (0.40) ROCK2ROCK1POLBKMT2AMAPK1
SCHEMBL2781949 0.81 PLAU (0.52) PLAUPOLBKMT2AMAPK1LMNA
SCHEMBL2780662 0.79 ADRA2A (0.53) PLAUKMT2ANPSR1
SCHEMBL2783939 0.79 PLAU (0.44) PLAUFYNROCK2KITPOLB
SCHEMBL2779998 0.77 ROCK2 (0.42) PLAUFYNROCK2KITKMT2A
SCHEMBL2379939 0.77 PRMT5 (0.44) FYNROCK2KITROCK1POLB

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 3291/4885FYN 995/4885SMO 4108/4885

“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.