SCHEMBL2005307

SCHEMBL2005307

Cc1cccc2c(=O)n(C)c(-c3ccc(O)cc3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.56
TNKS2 Q9H2K2 5/20 0.56
PARP1 P09874 4/20 0.56
KCNH2 Q12809 5/20 0.54
HRH3 Q9Y5N1 5/20 0.54
ADRA1A P35348 3/20 0.54
CASR P41180 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
PDE7A Q13946 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE7B Q9NP56 1/20 0.43
ESR1 P03372 1/20 0.41
ELANE P08246 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
SCHEMBL2004896 0.83 KCNH2 (0.60) TNKSTNKS2PARP1KCNH2HRH3
SCHEMBL15801415 0.77 ELANE (0.49) TNKSTNKS2PARP1KCNH2HRH3
SCHEMBL29110429 0.75 HRH3 (0.57) TNKSTNKS2PARP1KCNH2HRH3
SCHEMBL7016334 0.74 ELANE (0.46) TNKSTNKS2PARP1KCNH2HRH3
SCHEMBL2002334 0.73 HRH3 (0.74) KCNH2HRH3ADRA1A
SCHEMBL25360338 0.72 TLR7 (0.46) KCNH2HRH3ADRA1AALDH1A1PDE7A
SCHEMBL30494769 0.72 TLR7 (0.46) KCNH2HRH3ADRA1AALDH1A1PDE7A
SCHEMBL2004905 0.72 HRH3 (0.74) KCNH2HRH3ADRA1A
SCHEMBL30494965 0.72 DHODH (0.47) PARP1KCNH2HRH3ADRA1AKDM4E
SCHEMBL25360508 0.72 DHODH (0.47) PARP1KCNH2HRH3ADRA1AKDM4E

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 4 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
CN-1960977-A Quinazoline derivative BANYU PHARMA CO LTD (JP) 2007-05-09 CN 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 TNKS 2500/4885TNKS2 2374/4885PARP1 2041/4885

“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.