SCHEMBL1874573

SCHEMBL1874573

CCOc1cc(CN2CCC(Nc3ccnc4cc(Cl)ccc34)CC2)cc(OCC)c1Cl

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
KDM4E B2RXH2 1/20 0.70
ALDH1A1 P00352 1/20 0.70
NSD2 O96028 1/20 0.58
KMT5B Q4FZB7 1/20 0.55
KMT5C Q86Y97 1/20 0.55
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 1/20 0.52
SSTR5 P35346 8/20 0.52
SSTR1 P30872 1/20 0.51
POLB P06746 1/20 0.50
THRB P10828 1/20 0.50
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
MCHR1 Q99705 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1877469 0.94 KDM4E (0.68) MEN1KMT2AKDM4EALDH1A1NSD2
SCHEMBL1877643 0.93 MEN1 (0.67) MEN1KMT2AKDM4EALDH1A1NSD2
SCHEMBL1874097 0.91 KDM4E (0.67) MEN1KMT2AKDM4EALDH1A1NSD2
SCHEMBL1884583 0.90 KDM4E (0.66) MEN1KMT2AKDM4EALDH1A1NSD2
SCHEMBL1878027 0.90 KDM4E (0.66) MEN1KMT2AKDM4EALDH1A1NSD2
SCHEMBL1880457 0.90 KDM4E (0.54) MEN1KMT2AKDM4EALDH1A1SSTR5
SCHEMBL1877001 0.90 KMT2A (0.71) MEN1KMT2AKDM4EALDH1A1NSD2
SCHEMBL1877015 0.89 KDM4E (0.63) MEN1KMT2AKDM4EALDH1A1NSD2
SCHEMBL1878864 0.89 SSTR5 (0.67) MEN1KMT2AKDM4EALDH1A1NSD2
SCHEMBL1876671 0.88 KDM4E (0.61) MEN1KMT2AKDM4EALDH1A1NSD2

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 10 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
CN-101511817-A Pyridine-and quinoline-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2009-08-19 CN 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
CN-101511817-A Pyridine-and quinoline-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2009-08-19 CN 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 MEN1 909/4885KMT2A 4252/4885KDM4E 3759/4885

“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.