SCHEMBL1098455

SCHEMBL1098455

COc1cc(O)ccc1CC(=O)Nc1cccc(C(OC)OC)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NLRP3 Q96P20 3/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TSHR P16473 1/20 0.47
ANO1 Q5XXA6 3/20 0.47
LMNA P02545 2/20 0.45
GPR55 Q9Y2T6 1/20 0.43
HTT P42858 2/20 0.43
P2RY14 Q15391 1/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1099205 0.84 LTA4H (0.48) SMN1; SMN2ALDH1A1KMT2AMEN1TSHR
SCHEMBL1098763 0.81 SMN1; SMN2 (0.53) SMN1; SMN2NLRP3KDM4EALDH1A1HSD17B10
SCHEMBL4371203 0.73 KDM4E (0.51) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL5598674 0.71 PDGFRB (0.60) SMN1; SMN2KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL30581779 0.70 EGFR (0.51) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL2173834 0.70 EGFR (0.51) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL2177709 0.70 PDGFRB (0.62)
SCHEMBL1099347 0.68 CAMK2A (0.64) KDM4EALDH1A1HSD17B10TSHRMAPT
SCHEMBL6313118 0.68 MEN1 (0.47) KDM4EKMT2AMEN1LMNAMAPT
SCHEMBL5164584 0.68 USP2 (0.60) SMN1; SMN2NLRP3KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 US disclosed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US disclosed
EP-1802591-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040520-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 WO 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-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 SMN1; SMN2 3491/4885NLRP3 1199/4885KDM4E 2801/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 SMN1; SMN2 3388/4885NLRP3 1006/4885KDM4E 2866/4885

“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.