SCHEMBL4870353

SCHEMBL4870353

CCOc1ccc(-c2cn(CCCCN)cn2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.43
CYP19A1 P11511 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TEAD2 Q15562 1/20 0.36
CPB2 Q96IY4 3/20 0.34
CPB1 P15086 2/20 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
SCHEMBL4868781 0.89 CYP11B1 (0.43) SYKCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL4865861 0.82 CYP2C9 (0.43) SYKCYP19A1CYP2E1CYP3A4CYP2A6
SCHEMBL5346379 0.80 CPB2 (0.40) SYKCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL14268981 0.80 CYP11B1 (0.44) SYKCYP19A1CYP2E1CYP3A4CYP2A6
SCHEMBL4867407 0.79 CYP3A4 (0.38) SYKCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL4869118 0.79 CYP2E1 (0.38) SYKCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL4869517 0.79 PIK3CD (0.38) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL4870253 0.79 SYK (0.47) SYKCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL14268984 0.79 CYP2E1 (0.38) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL14625961 0.77 CYP3A4 (0.36) SYKCYP2E1CYP3A4CYP2A6CYP2C9

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 14 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-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
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
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

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 SYK 2030/4885CYP19A1 751/4885CYP2E1 323/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI SYK 3475/4885CYP19A1 176/4885CYP2E1 184/4885

“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.