SCHEMBL4869066

SCHEMBL4869066

Cc1c(-c2cccnc2)ncn1CCCCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.43
CYP2A6 P11509 9/20 0.43
MAPK13 O15264 2/20 0.41
MAPK12 P53778 2/20 0.41
MAPK11 Q15759 2/20 0.41
MAPK14 Q16539 2/20 0.41
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2E1 P05181 2/20 0.40
CYP2B6 P20813 2/20 0.40
HRH1 P35367 2/20 0.39
CYP3A4 P08684 3/20 0.39
CAMK2D Q13557 1/20 0.39
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
FRK P42685 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL28794758 0.82 CYP2A6 (0.41) TLR8CYP2A6MAPK13MAPK12MAPK11
SCHEMBL4862910 0.81 KMT2A (0.46)
SCHEMBL5924255 0.80 MAPK13 (0.46) TLR8MAPK13MAPK12MAPK11MAPK14
SCHEMBL14269000 0.79 MAPK13 (0.38) CYP2A6MAPK13MAPK12MAPK11MAPK14
SCHEMBL14269015 0.77 PIK3CA (0.39) CYP2A6MAPK13MAPK12MAPK11MAPK14
SCHEMBL14626241 0.77 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4861475 0.74 TLR8 (0.62) TLR8CYP2A6CYP2C9CYP2C19CYP2E1
SCHEMBL6421317 0.71 HDAC1 (0.50) TLR8CYP2A6CYP2C9CYP2C19CYP2E1
SCHEMBL14268959 0.71 HTT (0.43) CYP2A6CYP2C9CYP2C19CYP2E1CYP2B6
SCHEMBL31282496 0.70 CYP2A6 (0.65) TLR8CYP2A6CYP2C9CYP2C19CYP2E1

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 4 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-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US 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
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity CHU DANIEL (US) 2003-07-03 US 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 57/4885MAPK13 1049/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL TLR8 1370/4885CYP2A6 68/4885MAPK13 1550/4885

“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.