SCHEMBL4863385

SCHEMBL4863385

COc1ccc(-c2nc(C)[nH]c2CCCCN)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.44
PDE2A O00408 4/20 0.37
PIK3CA P42336 4/20 0.37
CYP2A6 P11509 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
ADORA2B P29275 1/20 0.36
MTOR P42345 2/20 0.35
FGFR3 P22607 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
PIK3CD O00329 1/20 0.35
PIP5K1C O60331 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
ATR Q13535 1/20 0.35
KIT P10721 1/20 0.35
MAPT P10636 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
SCHEMBL4863484 0.82 PIK3CD (0.36) CYP2A6PIK3CD
SCHEMBL4867375 0.81 LOXL2 (0.44) LOXL2PDE2APIK3CACYP2A6MKNK1
SCHEMBL4869193 0.79 ALDH1A1 (0.41) PDE2AMAPT
SCHEMBL4861236 0.72 LOXL2 (0.42) LOXL2PIK3CACYP2A6MKNK1MKNK2
SCHEMBL6014373 0.70 HRH1 (0.45) LOXL2CYP2A6
SCHEMBL14269015 0.69 PIK3CA (0.39) LOXL2PIK3CACYP2A6MKNK1MKNK2
SCHEMBL14268994 0.66 CASP3 (0.46) LOXL2PIK3CAMKNK1MKNK2MTOR
SCHEMBL6269874 0.65 CYP2A6 (0.44) LOXL2CYP2A6MKNK1MKNK2
SCHEMBL15201221 0.65 ATR (0.50) LOXL2PIK3CACYP2A6MKNK1MKNK2
SCHEMBL31174412 0.65 CYP2A6 (0.68) LOXL2PIK3CACYP2A6MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 US claimed
EP-1618120-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2006-01-25 EP claimed
US-20050153905-A1 Novel ketolide derivatives CHIRON CORPORATION (US) 2005-07-14 US claimed
WO-2004096823-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2004-11-11 WO claimed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 US disclosed
EP-1618120-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2006-01-25 EP disclosed
EP-1618119-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
US-20050153905-A1 Novel ketolide derivatives CHIRON CORPORATION (US) 2005-07-14 US disclosed
US-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US disclosed
WO-2004096823-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2004-11-11 WO disclosed
WO-2004096822-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2004-11-11 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 (2 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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD LOXL2 1023/4885PDE2A 1580/4885PIK3CA 234/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI LOXL2 1976/4885PDE2A 1617/4885PIK3CA 510/4885

“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.