SCHEMBL3755829

SCHEMBL3755829

[c]1nc2c(ccc3cccnc32)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.57
CCR8 P51685 5/20 0.57
LMNA P02545 4/20 0.57
KDM4E B2RXH2 4/20 0.57
CCR5 P51681 3/20 0.57
MMP2 P08253 2/20 0.57
TSHR P16473 2/20 0.57
MAPT P10636 2/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
GMNN O75496 1/20 0.57
TP53 P04637 1/20 0.57
HSP90AA1 P07900 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
MMP9 P14780 1/20 0.57
ALOX15 P16050 1/20 0.57
NFKB1 P19838 1/20 0.57
MMP8 P22894 1/20 0.57

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
Phenanthroline SCHEMBL29367277 0.76 CCR1 (1.00) CCR1CCR8LMNAKDM4ECCR5
Phenanthroline SCHEMBL29354015 0.76 CCR1 (1.00) CCR1CCR8LMNAKDM4ECCR5
Phenanthroline SCHEMBL8312 0.76 CCR1 (1.00) CCR1CCR8LMNAKDM4ECCR5
Phenanthroline SCHEMBL8845760 0.76 CCR1 (1.00) CCR1CCR8LMNAKDM4ECCR5
Phenanthroline SCHEMBL22982126 0.73 CCR1 (0.94) CCR1CCR8LMNAKDM4ECCR5
Phenanthroline SCHEMBL22462277 0.73 CCR1 (0.94) CCR1CCR8LMNAKDM4ECCR5
Phenanthroline SCHEMBL21300488 0.73 CCR1 (0.94) CCR1CCR8LMNAKDM4ECCR5
Phenanthroline SCHEMBL21044608 0.73 CCR1 (0.94) CCR1CCR8LMNAKDM4ECCR5
Phenanthroline SCHEMBL21060516 0.73 CCR1 (0.94) CCR1CCR8LMNAKDM4ECCR5
Phenanthroline SCHEMBL3812011 0.73 CCR1 (0.94) CCR1CCR8LMNAKDM4ECCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919854-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC (US) 2013-09-18 EP claimed
EP-1919854-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-05-14 EP claimed
WO-2007027651-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-03-08 WO claimed
US-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2007-03-01 US claimed
EP-1919854-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC (US) 2013-09-18 EP disclosed
US-7834012-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
EP-1919854-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-05-14 EP disclosed
WO-2007027651-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-03-08 WO disclosed
US-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2007-03-01 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-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CCR1 790/4885CCR8 1209/4885LMNA 4224/4885

“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.