SCHEMBL1748619

SCHEMBL1748619

O=c1[nH]cc(Oc2ccccc2)c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CYP1A2 P05177 1/20 0.49
DPYD Q12882 4/20 0.45
BRD4 O60885 2/20 0.44
LMNA P02545 1/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
GAA P10253 1/20 0.39
ATAD2 Q6PL18 1/20 0.39

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
SCHEMBL11614897 0.82 ATAD2 (0.50) ALDH1A1DPYDLMNAKMT2APOLB
SCHEMBL7712458 0.82 MEN1 (0.47) ALDH1A1CYP1A2DPYDLMNAKMT2A
SCHEMBL31090687 0.82 DPYD (0.50) ALDH1A1DPYDLMNAKMT2AMEN1
SCHEMBL3129822 0.80 LYN (0.50) ALDH1A1CYP1A2LMNAKMT2AGAA
SCHEMBL11616692 0.78 SLC6A4 (0.39) ALDH1A1DPYDLMNAATAD2
SCHEMBL11617240 0.77 ALDH1A1 (0.44) ALDH1A1CYP1A2DPYDBRD4LMNA
SCHEMBL11287388 0.73 BRD4 (0.43) BRD4LMNAKMT2AGAA
SCHEMBL8519375 0.71 ATAD2 (0.46) ALDH1A1LMNAMAPTATAD2
SCHEMBL1061623 0.71 GAA (0.48) ALDH1A1CYP1A2DPYDLMNAMAPT
SCHEMBL102177 0.70 ATAD2 (0.52) ALDH1A1DPYDLMNAKMT2AKDM4E

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 8 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
US-4080454-A 5-M-Tolyloxyuracil, anti-ulcer agent PFIZER INC. (US) 1978-03-21 US 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 ALDH1A1 2667/4885CYP1A2 979/4885DPYD 417/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R ALDH1A1 2667/4885CYP1A2 979/4885DPYD 417/4885

“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.