SCHEMBL4861987

SCHEMBL4861987

[CH2]CCCc1nc(-c2ccncc2)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.43
LOXL2 Q9Y4K0 1/20 0.34
MAPK1 P28482 4/20 0.33
IDO1 P14902 1/20 0.33
PIM1 P11309 1/20 0.32
HASPIN Q8TF76 1/20 0.32
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
AR P10275 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
PDPK1 O15530 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
SCHEMBL15453284 0.90 GSK3B (0.39) GSK3BLOXL2MAPK1IDO1HRH4
SCHEMBL5673498 0.85 SMN1; SMN2 (0.36) GSK3BLOXL2MAPK1PIM1RAB9A
SCHEMBL5673490 0.83 HRH1 (0.46) GSK3BLOXL2HRH4HRH3
SCHEMBL455756 0.82 MAPK1 (0.42) MAPK1PIM1CYP1A2CYP3A4CYP2D6
SCHEMBL5674837 0.80 GSK3B (0.36) GSK3B
SCHEMBL5674834 0.80 GSK3B (0.41) GSK3BLOXL2MAPK1IDO1PIM1
SCHEMBL15453210 0.80 GSK3B (0.44) GSK3BLOXL2MAPK1IDO1PIM1
SCHEMBL1919006 0.80 GSK3B (0.49) GSK3BLOXL2MAPK1IDO1CYP3A4
SCHEMBL15453209 0.76 GSK3B (0.40) GSK3BLOXL2MAPK1IDO1LMNA
SCHEMBL4788593 0.76 LOXL2 (0.41) GSK3BLOXL2MAPK1IDO1LMNA

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 7 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
EP-1618119-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2006-01-25 EP 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
US-6756359-B2 ADMINISTERING A 14 MEMBERED MACROLIDE AND KETOLIDE ANTIBIOTICS CONTAINING C12 MODIFICATIONS TO A PATIENT SUFFERING FROM BACTERIAL INFECTIONS CHIRON CORPORATION 2004-06-29 US disclosed
EP-1404693-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2004-04-07 EP disclosed
WO-2003004509-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2003-01-16 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 (1 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 GSK3B 845/4885LOXL2 1023/4885MAPK1 1652/4885

“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.