SCHEMBL4869563

SCHEMBL4869563

NCCCCc1nc(-c2ccc(Cl)nc2)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
MAPK1 P28482 1/20 0.36
HRH3 Q9Y5N1 4/20 0.36
HRH4 Q9H3N8 3/20 0.36
HRH1 P35367 7/20 0.35
HRH2 P25021 2/20 0.35
AKT2 P31751 1/20 0.35
NPC1 O15118 2/20 0.33
NOTUM Q6P988 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2A6 P11509 1/20 0.33
TRPV3 Q8NET8 1/20 0.32

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
SCHEMBL4868654 0.84 MAPT (0.36) HRH3HRH4HRH1HRH2AKT2
SCHEMBL4863454 0.84 HPGDS (0.37) MAPK1HRH3HRH4HRH1HRH2
SCHEMBL5673522 0.84 HRH3 (0.36) HRH3HRH4HRH1HRH2AKT2
SCHEMBL8091110 0.83 MAOB (0.38) HRH3HRH4HRH1HRH2AKT2
SCHEMBL5674925 0.81 SYK (0.47) HRH3HRH4HRH1AKT2
SCHEMBL4861236 0.81 LOXL2 (0.42) PIK3CDMAPK1AKT2CYP2A6
SCHEMBL4866713 0.80 CYP19A1 (0.42) PIK3CDHRH3HRH4HRH1AKT2
SCHEMBL4861942 0.78 HRH3 (0.33) HRH3HRH4HRH1HRH2
SCHEMBL5676746 0.78 TDP1 (0.42) KDM4EALDH1A1RAB9A
SCHEMBL8656924 0.77 MPO (0.41) HRH3HRH4HRH1HRH2AKT2

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-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 PIK3CD 231/4885MAPK1 1652/4885HRH3 4363/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI PIK3CD 380/4885MAPK1 1145/4885HRH3 4469/4885

“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.