SCHEMBL3453702

SCHEMBL3453702

COc1cc2nc(N3CCN(C(=O)C45COC6CC(CC64)C5)CC3)nc(N)c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 6/20 0.56
HPGD P15428 6/20 0.56
GLA P06280 6/20 0.56
HSD17B10 Q99714 5/20 0.56
GAA P10253 5/20 0.56
ADRA2B P18089 4/20 0.56
ADRA2C P18825 4/20 0.56
ADRA1A P35348 4/20 0.56
ADRA1B P35368 4/20 0.56
MAPK1 P28482 3/20 0.56
LMNA P02545 3/20 0.56
ADRA2A P08913 3/20 0.56
ADRA1D P25100 3/20 0.56
OPRM1 P35372 3/20 0.56
KCNH2 Q12809 3/20 0.56
TP53 P04637 2/20 0.56
SLC22A1 O15245 2/20 0.56
ABCC4 O15439 2/20 0.56
DRD1 P21728 2/20 0.56

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
SCHEMBL11570772 0.94 KDM4E (0.56) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL11574238 0.92 KDM4E (0.56) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL11570132 0.85 KDM4E (0.57) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL11248049 0.85 KDM4E (0.39) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL11568720 0.83 KDM4E (0.55) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL11240874 0.82 ADRA1D (0.60) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL11241887 0.78 KDM4E (0.40) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL7787706 0.75 KDM4E (0.73) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL14369110 0.75 ADRA1A (0.70) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL7794600 0.74 ADRA1A (0.64) KDM4EALDH1A1HPGDGLAHSD17B10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0004389-A2 4-Amino-6,7-dimethoxy quinazoline derivatives, process for their preparation, their use and a pharmaceutical composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-10-03 EP claimed
US-7820817-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US disclosed
US-20100105693-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 US disclosed
EP-1753429-A1 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-02-21 EP disclosed
US-20060019962-A1 substituted piperazine compounds that are useful modulators of muscarinic receptors; 1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-(3-nitro-2-pyridyl)-piperazine; treatment of COPD, asthma, urinary incontinence, glaucoma, Alzheimer's (AchE inhibitors), and pain VERTEX PHARMACEUTICALS INCORPORATED 2006-01-26 US disclosed
WO-2005117883-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-12-15 WO disclosed
EP-0004389-A2 4-Amino-6,7-dimethoxy quinazoline derivatives, process for their preparation, their use and a pharmaceutical composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-10-03 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 (2 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-20100105693-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 KDM4E 2719/4885ALDH1A1 2741/4885HPGD 1606/4885
US-20060019962-A1 substituted piperazine compounds that are useful modulators of muscarinic receptors; 1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-(3-nitro-2-pyridyl)-piperazine; treatment of COPD, asthma, urinary incontinence, glaucoma, Alzheimer's (AchE inhibitors), and pain ACHE, CHRM5, CHRM3 KDM4E 2477/4885ALDH1A1 680/4885HPGD 201/4885

“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.