SCHEMBL4870893

SCHEMBL4870893

Cc1ccc(C2=NC=C[N]2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.42
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
PTGS2 P35354 7/20 0.34
TDO2 P48775 1/20 0.34
PDE10A Q9Y233 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 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
SCHEMBL676678 0.75 HPGDS (0.56) HPGDSNPC1PKMRAB9APIK3CD
SCHEMBL5111459 0.74 TDP1 (0.38) NPC1PKMRAB9A
SCHEMBL17051516 0.73 HPGDS (0.54) HPGDSNPC1PKMRAB9APIK3CD
SCHEMBL4861976 0.69 CYP2A6 (0.56)
SCHEMBL15025716 0.69 HPGDS (0.50) HPGDSNPC1PKMRAB9APIK3CD
SCHEMBL11996724 0.68 CYP2A6 (0.56) HPGDSNPC1PKMRAB9APIK3CD
SCHEMBL7679246 0.68 HPGDS (0.42) HPGDSNPC1PKMRAB9APIK3CD
SCHEMBL2757249 0.67 HPGDS (0.48) HPGDSNPC1PKMRAB9APIK3CD
SCHEMBL17051529 0.67 HPGDS (0.48) HPGDSNPC1PKMRAB9APIK3CD
SCHEMBL17051501 0.67 HPGDS (0.48) HPGDSNPC1PKMRAB9APIK3CD

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 13 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-20050101548-A1 Antimicrobial derivatives LIN XIAODONG (US) 2005-05-12 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
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
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity CHU DANIEL (US) 2003-07-03 US 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 (4 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 HPGDS 254/4885NPC1 931/4885PKM 8/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL HPGDS 1112/4885NPC1 67/4885PKM 538/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI HPGDS 374/4885NPC1 550/4885PKM 66/4885
US-20050101548-A1 Antimicrobial derivatives CFTR, VIP, Q6ZSR9 HPGDS 351/4885NPC1 337/4885PKM 1082/4885

“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.