SCHEMBL1877015

SCHEMBL1877015

CCOc1cc(CN2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
KMT2A Q03164 1/20 0.63
NSD2 O96028 1/20 0.52
SSTR5 P35346 13/20 0.50
HRH1 P35367 4/20 0.50
KMT5B Q4FZB7 1/20 0.50
KMT5C Q86Y97 1/20 0.50
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48
HTR2B P41595 2/20 0.44

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
SCHEMBL1878211 0.90 SSTR5 (0.53) KDM4EMEN1ALDH1A1KMT2ASSTR5
SCHEMBL1874573 0.89 MEN1 (0.70) KDM4EMEN1ALDH1A1KMT2ANSD2
SCHEMBL1877469 0.89 KDM4E (0.68) KDM4EMEN1ALDH1A1KMT2ANSD2
SCHEMBL1877643 0.88 MEN1 (0.67) KDM4EMEN1ALDH1A1KMT2ANSD2
SCHEMBL1748437 0.86 NSD2 (0.55) KDM4EMEN1ALDH1A1KMT2ANSD2
SCHEMBL1878864 0.86 SSTR5 (0.67) KDM4EMEN1ALDH1A1KMT2ANSD2
SCHEMBL1874097 0.86 KDM4E (0.67) KDM4EMEN1ALDH1A1KMT2ANSD2
SCHEMBL1884583 0.85 KDM4E (0.66) KDM4EMEN1ALDH1A1KMT2ANSD2
SCHEMBL1878027 0.85 KDM4E (0.66) KDM4EMEN1ALDH1A1KMT2ANSD2
SCHEMBL1877001 0.85 KMT2A (0.71) KDM4EMEN1ALDH1A1KMT2ANSD2

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-7939661-B2 Antidiabetic agents; somatostatin receptor subtype 5 modulators; noninsulin dependent diabetes mellitus; side effect reduction; synthesis HOFFMAN-LA ROCHE INC. (US) 2011-05-10 US claimed
EP-2066658-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-06-10 EP claimed
WO-2008031735-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 WO claimed
US-20080064697-A1 PYRIDINE, QUINOLINE AND PYRIMIDINE DERIVATIVES HOFFMAN-LA ROCHE INC. 2008-03-13 US claimed
US-7939661-B2 Antidiabetic agents; somatostatin receptor subtype 5 modulators; noninsulin dependent diabetes mellitus; side effect reduction; synthesis HOFFMAN-LA ROCHE INC. (US) 2011-05-10 US disclosed
EP-2066658-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-06-10 EP disclosed
WO-2008031735-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 WO disclosed
US-20080064697-A1 PYRIDINE, QUINOLINE AND PYRIMIDINE DERIVATIVES HOFFMAN-LA ROCHE INC. 2008-03-13 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 (1 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-20080064697-A1 PYRIDINE, QUINOLINE AND PYRIMIDINE DERIVATIVES SSTR5, SSTR3, NPY5R KDM4E 3759/4885MEN1 909/4885ALDH1A1 1558/4885

“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.