SCHEMBL5564391

SCHEMBL5564391

CCOc1cc(CN2CC(c3cccnc3)=CN=C2NC2CCNCC2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 9/20 0.40
HRH1 P35367 2/20 0.40
HTR2B P41595 1/20 0.40
SSTR1 P30872 1/20 0.38
CYP1A2 P05177 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
KCNH2 Q12809 1/20 0.36
DGAT2 Q96PD7 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
PIM1 P11309 2/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL5558702 0.83 SSTR5 (0.45) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3782836 0.72 SSTR5 (0.57) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4234809 0.71 SSTR5 (0.44) SSTR5HRH1HTR2BSSTR1CYP3A4
SCHEMBL5564397 0.70 SLC6A2 (0.47) CYP1A2ALDH1A1HSD17B10CYP3A4CLK4
SCHEMBL1881804 0.70 SSTR5 (0.61) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4227219 0.69 SSTR5 (0.56) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4230425 0.67 SSTR5 (0.59) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4220028 0.66 SSTR5 (0.58) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3936711 0.66 KMT2A (0.54) SSTR5HRH1HTR2BSSTR1ALDH1A1
SCHEMBL4224881 0.66 SSTR5 (0.57) SSTR5HRH1HTR2BSSTR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-09-27 US claimed

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-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives SSTR5, SSTR3, SSTR1 SSTR5 1/4885HRH1 140/4885HTR2B 106/4885

“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.