SCHEMBL4861475

SCHEMBL4861475

Cc1nc(-c2cccnc2)cn1CCCCN

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.62
CYP2A6 P11509 5/20 0.43
CYP2E1 P05181 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2B6 P20813 2/20 0.43
CYP2C19 P33261 2/20 0.43
CAMK2D Q13557 1/20 0.43
PDE10A Q9Y233 4/20 0.43
CNR2 P34972 1/20 0.43
CYP3A4 P08684 2/20 0.42
NAMPT P43490 1/20 0.39
HRH1 P35367 2/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL28791761 0.82 TLR8 (0.53) TLR8CYP2A6CYP2E1CYP2C9CYP2B6
SCHEMBL14268999 0.78 TLR8 (0.42) TLR8
SCHEMBL14294462 0.78 TLR8 (0.40) TLR8
SCHEMBL14268994 0.76 CASP3 (0.46) TLR8
SCHEMBL14626324 0.76 TLR8 (0.39) TLR8PDE10A
SCHEMBL27656597 0.75 PDE10A (0.54) TLR8CYP2A6CYP2E1CYP2C9CYP2B6
SCHEMBL14895652 0.75 TLR8 (0.50) TLR8CYP2A6CYP2E1CYP2C9CYP2B6
SCHEMBL4869066 0.74 TLR8 (0.43) TLR8CYP2A6CYP2E1CYP2C9CYP2B6
SCHEMBL708867 0.73 CYP2A6 (0.65) TLR8CYP2A6CYP2E1CYP2C9CYP2B6
SCHEMBL31282496 0.73 CYP2A6 (0.65) TLR8CYP2A6CYP2E1CYP2C9CYP2B6

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
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
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 (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 TLR8 876/4885CYP2A6 57/4885CYP2E1 323/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL TLR8 1370/4885CYP2A6 68/4885CYP2E1 362/4885

“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.