SCHEMBL2008223

SCHEMBL2008223

Cc1cc(OC2CCNCC2)ccc1-c1nc2ccccc2c(=O)n1C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.53
KCNH2 Q12809 7/20 0.53
ADRA1A P35348 5/20 0.53
KHK P50053 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKACA P17612 1/20 0.42
PRKCD Q05655 1/20 0.42
ROCK1 Q13464 1/20 0.42
PRKG1 Q13976 1/20 0.42
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
CDC42BPA Q5VT25 1/20 0.42
Q6ZSR9 Q6ZSR9 1/20 0.42
BMP2K Q9NSY1 1/20 0.42
CDC42BPB Q9Y5S2 1/20 0.42
HRH1 P35367 1/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL2005848 0.84 HRH3 (0.76) HRH3KCNH2ADRA1A
SCHEMBL2003428 0.84 HRH3 (0.76) HRH3KCNH2ADRA1A
SCHEMBL2006967 0.84 HRH3 (0.75) HRH3KCNH2ADRA1A
SCHEMBL2003591 0.75 HRH3 (0.73) HRH3KCNH2ADRA1A
SCHEMBL2005590 0.75 HRH3 (0.73) HRH3KCNH2ADRA1A
SCHEMBL4470176 0.74 HRH3 (0.77) HRH3KCNH2
SCHEMBL2007293 0.73 CASR (0.51)
SCHEMBL2006508 0.73 HRH3 (0.74) HRH3KCNH2ADRA1A
SCHEMBL4472646 0.71 HRH3 (0.71) HRH3KCNH2
SCHEMBL2005384 0.71 HRH3 (0.92) HRH3KCNH2ADRA1A

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-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP 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-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 HRH3 1/4885KCNH2 937/4885ADRA1A 63/4885

“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.