SCHEMBL5438320

SCHEMBL5438320

O=C(NCc1cnn(-c2ccccc2)c1)c1cc2ccccc2n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 11/20 0.53
▸ ELANE P08246 4/20 0.47
▸ PLA2G10 O15496 1/20 0.46
▸ DDT P30046 1/20 0.43
▸ GSR P00390 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ EPHX2 P34913 1/20 0.41

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
SCHEMBL5440126 0.93 DDT (0.51) CCR1ELANEPLA2G10DDT
SCHEMBL5440460 0.90 ELANE (0.54) CCR1ELANEPLA2G10DDT
SCHEMBL5757939 0.85 ELANE (0.65) CCR1ELANEDDTEPHX2
SCHEMBL5444649 0.84 ELANE (0.49) CCR1ELANEPLA2G10
SCHEMBL5445075 0.84 ELANE (0.52) CCR1ELANEPLA2G10
SCHEMBL5443539 0.84 SORT1 (0.56) CCR1ELANEPLA2G10
SCHEMBL561233 0.84 ELANE (0.52) CCR1ELANEDDT
SCHEMBL31490267 0.84 ELANE (0.52) CCR1ELANEDDT
SCHEMBL5434666 0.83 ELANE (0.55) CCR1ELANEPLA2G10MEN1NPC1
SCHEMBL5441836 0.83 ELANE (0.54) CCR1ELANEPLA2G10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010551-A1 Quinoline derivatives as neutrophil elastase inhibitors and their use ASTRAZENECA AB (SE) 2007-01-11 — — US disclosed
EP-1660452-A1 QUINOLINE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE AstraZeneca AB (SE) 2006-05-31 — — EP disclosed
WO-2005021509-A1 QUINOLINE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2005-03-10 — — 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 (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-20070010551-A1 Quinoline derivatives as neutrophil elastase inhibitors and their use SERPINB1, ELANE, MPO CCR1 200/4885ELANE 2/4885PLA2G10 1148/4885

“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.

Send feedback