SCHEMBL4867407

SCHEMBL4867407

NCCCCn1cnc(-c2ccc(CN)nc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2E1 P05181 2/20 0.38
CYP2A6 P11509 2/20 0.38
CYP2B6 P20813 2/20 0.38
HPGDS O60760 1/20 0.35
CYP2D6 P10635 2/20 0.35
CPB2 Q96IY4 6/20 0.33
CPB1 P15086 3/20 0.33
PDE10A Q9Y233 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
SYK P43405 1/20 0.31
KCNH2 Q12809 1/20 0.31
AURKB Q96GD4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL14625961 0.89 CYP3A4 (0.36) CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL5346379 0.84 CPB2 (0.40) CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL4869118 0.83 CYP2E1 (0.38) CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL4869517 0.83 PIK3CD (0.38) CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL4865861 0.83 CYP2C9 (0.43) CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL4870253 0.83 SYK (0.47) CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL4868781 0.80 CYP11B1 (0.43) CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL14268984 0.80 CYP2E1 (0.38) CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL4172725 0.80 HPGDS (0.38) CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6
SCHEMBL7030913 0.80 TLR8 (0.41) CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 US claimed
US-20050153905-A1 Novel ketolide derivatives CHIRON CORPORATION (US) 2005-07-14 US 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
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 CYP3A4 30/4885CYP2C9 10/4885CYP2C19 9/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI CYP3A4 73/4885CYP2C9 40/4885CYP2C19 58/4885

“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.