SCHEMBL4861236

SCHEMBL4861236

COc1ccc(-c2c[nH]c(CCCCN)n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.42
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAPK1 P28482 1/20 0.39
CYP19A1 P11511 2/20 0.39
ATR Q13535 1/20 0.38
TDO2 P48775 1/20 0.38
MAPT P10636 1/20 0.37
ERN1 O75460 2/20 0.37
CPB2 Q96IY4 1/20 0.36
PIK3CA P42336 3/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
CYP2A6 P11509 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
PIK3CD O00329 1/20 0.36
PIP5K1C O60331 1/20 0.36
PIK3CB P42338 1/20 0.36

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
SCHEMBL4866713 0.89 CYP19A1 (0.42) CYP19A1MAPTPIK3CAPIK3CDPIK3CB
SCHEMBL4863454 0.83 HPGDS (0.37) MAPK1TDO2AKT2
SCHEMBL8656607 0.82 MAOB (0.43) MAPK1MAPTPDGFRB
SCHEMBL4869563 0.81 PIK3CD (0.37) MAPK1CYP2A6PIK3CDAKT2
SCHEMBL5673522 0.81 HRH3 (0.36) AKT2
SCHEMBL4868654 0.81 MAPT (0.36) MAPTAKT2
SCHEMBL5674925 0.80 SYK (0.47) TDO2MAPTPRKAG1PRKAA1PRKAB1
SCHEMBL4867375 0.77 LOXL2 (0.44) LOXL2MKNK1MKNK2PIK3CACYP2A6
SCHEMBL8655680 0.76 MAOB (0.47) MKNK1MKNK2PDGFRB
SCHEMBL8091110 0.74 MAOB (0.38) PDGFRBAKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618120-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2006-01-25 EP 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-2004096822-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2004-11-11 WO disclosed
WO-2004096823-A2 NOVEL KETOLIDE DERIVATIVES 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 1023/4885MKNK1 700/4885MKNK2 1101/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI LOXL2 1976/4885MKNK1 881/4885MKNK2 1443/4885

“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.