SCHEMBL1748561

SCHEMBL1748561

CCOc1cc(CN2CCC(Nc3nc(Cl)nc4cc(OC)c(OC)cc34)CC2)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 11/20 0.61
NSD2 O96028 7/20 0.60
KDM1A O60341 1/20 0.59
RCOR1 Q9UKL0 1/20 0.59
SSTR5 P35346 2/20 0.58
HRH1 P35367 1/20 0.58
HTR2B P41595 1/20 0.58
DNMT3A Q9Y6K1 1/20 0.56
EZH2 Q15910 1/20 0.56
NSD3 Q9BZ95 1/20 0.56
EHMT1 Q9H9B1 1/20 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
SCHEMBL1748578 0.94 EHMT2 (0.62) EHMT2NSD2KDM1ARCOR1SSTR5
SCHEMBL1748362 0.91 EHMT2 (0.60) EHMT2NSD2KDM1ARCOR1SSTR5
SCHEMBL1748467 0.89 EHMT2 (0.62) EHMT2NSD2KDM1ARCOR1SSTR5
SCHEMBL1748283 0.86 SSTR5 (0.57) EHMT2NSD2SSTR5HRH1HTR2B
SCHEMBL16521336 0.86 EHMT2 (0.75) EHMT2NSD2KDM1ARCOR1DNMT3A
SCHEMBL3785396 0.86 SSTR5 (0.58) EHMT2NSD2KDM1ARCOR1SSTR5
SCHEMBL1748637 0.85 SSTR5 (0.59) SSTR5HRH1HTR2B
SCHEMBL1748479 0.85 EHMT2 (0.58) EHMT2NSD2KDM1ARCOR1DNMT3A
SCHEMBL1748367 0.85 SSTR5 (0.68) EHMT2NSD2SSTR5HRH1HTR2B
SCHEMBL15280229 0.85 NSD2 (0.80) EHMT2NSD2KDM1ARCOR1DNMT3A

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
US-7968568-B2 [1-(4-chloro-3-ethoxy-benzyl)-piperidin-4-yl]-(2-chloro-pyrimidin-4-yl)-amine; somatostatin receptor subtype 5 (SSTR5) antagonists; diabetes mellitus HOFFMANN-LA ROCHE INC. (US) 2011-06-28 US disclosed
EP-2044054-B1 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
US-20100069413-A1 Pyrimidine and Quinazoline Derivatives CHRIST ANDREAS D 2010-03-18 US disclosed
US-7674804-B2 Pyrimidine and quinazoline derivatives as SST5 modulators HOFFMANN-LA ROCHE INC. (US) 2010-03-09 US disclosed
EP-2044054-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. Hoffmann-Roche AG (CH) 2009-04-08 EP disclosed
US-20080045550-A1 Pyrimidine and quinazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 US disclosed
WO-2008000692-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 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-20100069413-A1 Pyrimidine and Quinazoline Derivatives SSTR5, SSTR3, NPY5R EHMT2 4858/4885NSD2 3810/4885KDM1A 4571/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R EHMT2 4858/4885NSD2 3810/4885KDM1A 4571/4885

“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.