SCHEMBL3318248

SCHEMBL3318248

COc1cc2nc(N3CCC(Cc4ccccc4)(C(=O)NCc4ccccc4)CC3)nc(N3CCCCC3)c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 4/20 0.52
TLR9 Q9NR96 1/20 0.48
TLR7 Q9NYK1 1/20 0.48
PDGFRB P09619 5/20 0.47
PDGFRA P16234 4/20 0.47
EHMT2 Q96KQ7 4/20 0.47
KDM4E B2RXH2 1/20 0.47
STAT6 P42226 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KIT P10721 1/20 0.46

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
SCHEMBL3319575 0.96 WHR1 (0.51) WHR1TLR9TLR7PDGFRBPDGFRA
SCHEMBL3319202 0.92 WHR1 (0.51) WHR1TLR9TLR7PDGFRBPDGFRA
SCHEMBL3319216 0.89 WHR1 (0.49) WHR1TLR9TLR7PDGFRBPDGFRA
SCHEMBL2170380 0.88 WHR1 (0.47) WHR1EHMT2KDM4E
SCHEMBL2170869 0.87 ADRA1A (0.57) KDM4E
SCHEMBL2171433 0.86 WHR1 (0.46) WHR1TLR7EHMT2KDM4E
SCHEMBL7918343 0.85 ADRA1A (0.55) KDM4E
SCHEMBL2171548 0.84 EHMT2 (0.58) WHR1EHMT2
SCHEMBL2171759 0.84 ADRA1A (0.53) KDM4E
SCHEMBL3321657 0.84 ADRA1A (0.53) KDM4E

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-2346848-B1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-02-27 EP disclosed
US-8318749-B2 Quinazoline derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-11-27 US disclosed
US-8318749-B2 Quinazoline derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-11-27 US disclosed
US-8318749-B2 Quinazoline derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-11-27 US disclosed
US-20100125078-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-05-20 US disclosed
US-20100125078-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-05-20 US disclosed
US-20100125078-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-05-20 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-20100125078-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS SLC6A3, OPRK1, HTR3A WHR1 4280/4885TLR9 870/4885TLR7 385/4885

“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.