SCHEMBL4512948

SCHEMBL4512948

COc1cnc2cccc(NC(=O)C3CCC(NC/C=C/c4c(F)cccc4F)CN3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.40
KCNH2 Q12809 3/20 0.36
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
HIF1A Q16665 1/20 0.32
EGFR P00533 1/20 0.31
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL4512954 1.00 SLC2A1 (0.40) SLC2A1KCNH2MTNR1AMTNR1BHIF1A
SCHEMBL4520969 0.79 KCNH2 (0.46) SLC2A1KCNH2
SCHEMBL4520967 0.79 KCNH2 (0.46) SLC2A1KCNH2
SCHEMBL4499945 0.76 KCNH2 (0.64) KCNH2
SCHEMBL4775783 0.74 KCNH2 (0.44) SLC2A1KCNH2
SCHEMBL4509808 0.73 KCNH2 (0.41) KCNH2
SCHEMBL4517432 0.73 KCNH2 (0.52) KCNH2
SCHEMBL4511732 0.70 KCNH2 (0.53) SLC2A1KCNH2
SCHEMBL4520953 0.69 PLAU (0.33) KCNH2
SCHEMBL4520946 0.69 PLAU (0.33) KCNH2

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-20090131444-A1 Aminopiperidine Quinolines and Their Azaisosteric Analogues with Antibacterial Activity ASTRAZENECA AB (SE) 2009-05-21 US disclosed
EP-1891078-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006125974-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2006-11-30 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-20090131444-A1 Aminopiperidine Quinolines and Their Azaisosteric Analogues with Antibacterial Activity AAAS, AMPD2, AMPD3 SLC2A1 3896/4885KCNH2 1951/4885MTNR1A 3167/4885

“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.