SCHEMBL1748495

SCHEMBL1748495

c1ncc2ncn(N3CCCCC3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.37
LTA4H P09960 1/20 0.35
MKNK2 Q9HBH9 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 3/20 0.31
CYP1A2 P05177 3/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2C19 P33261 3/20 0.31
CYP2C9 P11712 2/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31
USP2 O75604 1/20 0.30

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
SCHEMBL2507997 0.83 FDPS (0.35) FDPSLTA4HMKNK2HDAC1HDAC6
SCHEMBL5004595 0.83 FDPS (0.35) FDPSLTA4HMKNK2HDAC1HDAC6
SCHEMBL28340215 0.79 FDPS (0.44) FDPSLTA4HMKNK2HDAC1HDAC6
SCHEMBL27734755 0.73 FDPS (0.40) FDPSLTA4HMKNK2HDAC1HDAC6
SCHEMBL28271008 0.72 FDPS (0.35) FDPSLTA4HMKNK2HDAC1HDAC6
SCHEMBL28444794 0.72 FDPS (0.35) FDPSLTA4HMKNK2HDAC1HDAC6
SCHEMBL27783128 0.71 FDPS (0.39) FDPSLTA4HMKNK2HDAC1HDAC6
SCHEMBL6055010 0.71 FDPS (0.39) FDPSLTA4HMKNK2HDAC1HDAC6
SCHEMBL27714206 0.70 FDPS (0.38) FDPSLTA4HMKNK2HDAC1HDAC6
SCHEMBL11345735 0.69 TLR7 (0.51) FDPSLTA4HHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108070566-A The stem cell screening model of sitaxsentan sodium object and application 中国医学科学院基础医学研究所 2018-05-25 CN disclosed
CN-105062976-B Stem cell screening model of pulmonary hypertension treatment drug and application 中国医学科学院基础医学研究所 2018-05-11 CN disclosed
CN-105062976-A Stem cell screening model of pulmonary hypertension treatment drug and application INST BASIC MED SCIENCES PLA 2015-11-18 CN disclosed
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
WO-2009116090-A2 NOVEL ANTIMICROBIALS PANACEA BIOTEC LIMITED (IN) 2009-09-24 WO disclosed
CN-101479257-A Pyrimidine and quinazoline derivatives HOFFMANN LA ROCHE (CH) 2009-07-08 CN 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 FDPS 1889/4885LTA4H 1706/4885MKNK2 2613/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R FDPS 1889/4885LTA4H 1706/4885MKNK2 2613/4885

“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.