SCHEMBL2170928

SCHEMBL2170928

CCOC(=O)C1(Cc2ccccc2)CCN(c2nc(O)c3cc(OC)c(OC)cc3n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ LMNA P02545 3/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 1/20 0.47

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
SCHEMBL2170706 0.90 WHR1 (0.51) —
SCHEMBL13361589 0.88 WHR1 (0.49) —
SCHEMBL2170980 0.86 WHR1 (0.48) —
SCHEMBL2170380 0.85 WHR1 (0.47) LMNAMAPK1KMT2AMEN1ALDH1A1
SCHEMBL2171960 0.84 MEN1 (0.51) L3MBTL1MAPK1KMT2AMEN1HTT
SCHEMBL14715341 0.83 WHR1 (0.43) —
SCHEMBL2172355 0.82 EHMT2 (0.49) —
SCHEMBL2176843 0.81 EHMT2 (0.46) —
SCHEMBL2170465 0.81 RET (0.43) —
SCHEMBL2171942 0.81 ADRA2A (0.48) —

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 10 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
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
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
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 L3MBTL1 3617/4885LMNA 4496/4885MAPK1 1018/4885

“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.

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