SCHEMBL4870306

SCHEMBL4870306

Fc1ccc(-c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.53
DHODH Q02127 1/20 0.40
JAK2 O60674 1/20 0.40
RET P07949 1/20 0.40
KDR P35968 1/20 0.40
GSK3A P49840 1/20 0.40
RPS6KA3 P51812 1/20 0.40
LIMK1 P53667 1/20 0.40
MAP2K1 Q02750 1/20 0.40
DYRK1A Q13627 1/20 0.40
MAPK14 Q16539 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
ALK Q9UM73 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
SYK P43405 2/20 0.36
GRM5 P41594 1/20 0.36
SIRT2 Q8IXJ6 5/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL17688313 0.83 ENPP2 (0.53) ENPP2CYP11B1CYP11B2GRM5SIRT2
SCHEMBL3825009 0.81 ENPP2 (0.56) ENPP2JAK2RETKDRALK
SCHEMBL23535810 0.81 ENPP2 (0.51) ENPP2CYP11B1CYP11B2SIRT2FLT3
SCHEMBL4868116 0.80 ENPP2 (0.50) ENPP2KDRCYP11B1GRM5SIRT2
SCHEMBL2312155 0.79 ENPP2 (0.58) ENPP2CYP11B1CYP11B2SIRT2HPGDS
SCHEMBL4172719 0.79 ENPP2 (0.58) ENPP2CYP11B1CYP11B2SIRT2MAPT
SCHEMBL17688305 0.79 ENPP2 (0.49) ENPP2CYP11B1CYP11B2SIRT2FLT3
SCHEMBL17688341 0.78 CYP2A6 (0.55) ENPP2KDRCLK4CYP11B1CYP11B2
SCHEMBL13514515 0.78 ENPP2 (0.50) ENPP2JAK2RETKDRALK
SCHEMBL4872173 0.78 ENPP2 (0.56) ENPP2CYP11B1CYP11B2SIRT2MAPT

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 16 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-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
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
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 (3 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 ENPP2 3744/4885DHODH 591/4885JAK2 3077/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL ENPP2 2615/4885DHODH 2971/4885JAK2 3088/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI ENPP2 3787/4885DHODH 415/4885JAK2 4135/4885

“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.