SCHEMBL4865238

SCHEMBL4865238

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.47
MAPK1 P28482 1/20 0.46
CYP2A6 P11509 2/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
TDO2 P48775 1/20 0.45
MAPT P10636 1/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
PRKAG1 P54619 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
ERN1 O75460 3/20 0.42
PIK3CA P42336 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MAP3K11 Q16584 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
SCHEMBL29786282 0.84 CYP19A1 (0.47) CYP19A1MAPK1CYP2A6MKNK1MKNK2
SCHEMBL23123842 0.84 CYP19A1 (0.47) CYP19A1MAPK1CYP2A6MKNK1MKNK2
SCHEMBL23123915 0.79 CYP19A1 (0.43) CYP19A1MAPK1CYP2A6MKNK1MKNK2
SCHEMBL4866869 0.77 MKNK1 (0.47) CYP19A1MAPK1CYP2A6MKNK1MKNK2
SCHEMBL4861251 0.77 PIK3CD (0.42) MAPK1CYP2A6ERN1
SCHEMBL12735602 0.76 PDGFRB (0.50) MAPK1MAPTPDGFRBPTGS1PTGS2
SCHEMBL23411188 0.76 MAPK1 (0.45) CYP19A1MAPK1CYP2A6MKNK1MKNK2
SCHEMBL17983446 0.74 ENPP3 (0.36) MAPTPDGFRB
SCHEMBL31174412 0.74 CYP2A6 (0.68) CYP19A1CYP2A6MKNK1MKNK2TDO2
SCHEMBL3754419 0.74 CYP2A6 (0.68) CYP19A1CYP2A6MKNK1MKNK2TDO2

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
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
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
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 CYP19A1 751/4885MAPK1 1652/4885CYP2A6 57/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI CYP19A1 176/4885MAPK1 1145/4885CYP2A6 110/4885

“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.