SCHEMBL1748221

SCHEMBL1748221

CC(C)Oc1cc(CN2CCC(Nc3ncnc(Cl)c3N)CC2)cc(OC(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.51
NSD2 O96028 2/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
NOD2 Q9HC29 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CNR1 P21554 6/20 0.41
CNR2 P34972 2/20 0.40
MCHR1 Q99705 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL1748536 0.83 SSTR5 (0.53) SSTR5NSD2MEN1KMT2ARAB9A
SCHEMBL1748423 0.82 MEN1 (0.48) SSTR5NSD2MEN1KMT2ARAB9A
SCHEMBL1748399 0.81 SSTR5 (0.50) SSTR5NSD2MEN1KMT2ARAB9A
SCHEMBL1748544 0.81 NSD2 (0.55) SSTR5NSD2MEN1KMT2ACNR1
SCHEMBL1748444 0.80 GRIN2B (0.53) SSTR5IRAK4
SCHEMBL1748519 0.80 NSD2 (0.52) SSTR5NSD2MEN1KMT2ARAB9A
SCHEMBL1748205 0.80 SSTR5 (0.50) SSTR5NSD2MEN1KMT2ARAB9A
SCHEMBL1748210 0.80 SSTR5 (0.49) SSTR5NSD2MEN1KMT2ARAB9A
SCHEMBL1748569 0.80 NSD2 (0.51) SSTR5NSD2MEN1KMT2ARAB9A
SCHEMBL1748840 0.80 SSTR5 (0.55) SSTR5NSD2MCHR1ACHE

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 SSTR5 1/4885NSD2 3810/4885MEN1 1238/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R SSTR5 1/4885NSD2 3810/4885MEN1 1238/4885

“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.