SCHEMBL1748205

SCHEMBL1748205

Cc1ccccc1Oc1c(Cl)ncnc1NC1CCN(Cc2cc(OC(C)C)cc(OC(C)C)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.50
NSD2 O96028 3/20 0.46
RAB9A P51151 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
LMNA P02545 2/20 0.45
NOD2 Q9HC29 1/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 2/20 0.40
GMNN O75496 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL1748519 0.92 NSD2 (0.52) SSTR5NSD2RAB9ARXFP1LMNA
SCHEMBL1748210 0.91 SSTR5 (0.49) SSTR5NSD2RAB9ARXFP1LMNA
SCHEMBL1748536 0.90 SSTR5 (0.53) SSTR5NSD2RAB9ARXFP1LMNA
SCHEMBL1748423 0.85 MEN1 (0.48) SSTR5NSD2RAB9ARXFP1LMNA
SCHEMBL1748569 0.81 NSD2 (0.51) SSTR5NSD2RAB9ARXFP1LMNA
SCHEMBL1748221 0.80 SSTR5 (0.51) SSTR5NSD2RAB9ARXFP1LMNA
SCHEMBL1748386 0.76 SSTR5 (0.48) SSTR5NSD2RAB9ARXFP1LMNA
SCHEMBL1748544 0.76 NSD2 (0.55) SSTR5NSD2MEN1KMT2AALDH1A1
SCHEMBL1748444 0.73 GRIN2B (0.53) SSTR5CYP2D6
SCHEMBL1748840 0.73 SSTR5 (0.55) SSTR5NSD2DRD2DRD4ALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044054-B1 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2011-06-08 EP claimed
US-20100069413-A1 Pyrimidine and Quinazoline Derivatives CHRIST ANDREAS D 2010-03-18 US claimed
US-7674804-B2 Pyrimidine and quinazoline derivatives as SST5 modulators HOFFMANN-LA ROCHE INC. (US) 2010-03-09 US claimed
EP-2044054-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. Hoffmann-Roche AG (CH) 2009-04-08 EP claimed
US-20080045550-A1 Pyrimidine and quinazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 US claimed
WO-2008000692-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO claimed
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 3810/4885RAB9A 1273/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R SSTR5 1/4885NSD2 3810/4885RAB9A 1273/4885

“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.