SCHEMBL2174116

SCHEMBL2174116

COc1cc2nc(N3CCC(CC4CCC4)(C(=O)N(C)Cc4ccccc4)CC3)nc(O)c2cc1OC

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 8/20 0.44
WHR1 P49842 3/20 0.43
DNMT3A Q9Y6K1 2/20 0.42
NSD2 O96028 1/20 0.42
EZH2 Q15910 1/20 0.42
NSD3 Q9BZ95 1/20 0.42
EHMT1 Q9H9B1 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
SCHEMBL2172163 0.97 EHMT2 (0.45) EHMT2WHR1DNMT3ANSD2EZH2
SCHEMBL2172172 0.93 EHMT2 (0.41) EHMT2WHR1DNMT3ANSD2EZH2
SCHEMBL2170980 0.89 WHR1 (0.48) EHMT2WHR1
SCHEMBL14715415 0.88 EHMT2 (0.43) EHMT2WHR1DNMT3ANSD2EZH2
SCHEMBL2171036 0.85 EHMT2 (0.46) EHMT2WHR1DNMT3ANSD2EZH2
SCHEMBL2170933 0.85 WHR1 (0.50) EHMT2WHR1
SCHEMBL14715434 0.84 EHMT2 (0.44) EHMT2WHR1DNMT3ANSD2EZH2
SCHEMBL2173189 0.82 EHMT2 (0.46) EHMT2WHR1DNMT3ANSD2EZH2
SCHEMBL2170894 0.81 WHR1 (0.49) WHR1
SCHEMBL2171942 0.80 ADRA2A (0.48) EHMT2WHR1DNMT3AEHMT1

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 11 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 claimed
US-8318749-B2 Quinazoline derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-11-27 US claimed
EP-2346848-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP claimed
WO-2010054968-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO claimed
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
EP-2346848-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP 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
WO-2010054968-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 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 (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 EHMT2 3673/4885WHR1 4280/4885DNMT3A 4281/4885

“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.