SCHEMBL4871159

SCHEMBL4871159

NCCCCn1cnc(-c2ccncc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2A6 P11509 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2B6 P20813 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
HRH1 P35367 2/20 0.39
CYP2D6 P10635 1/20 0.38
PRKCH P24723 4/20 0.37
PRKCE Q02156 4/20 0.37
PRKCQ Q04759 3/20 0.37
PRKCD Q05655 3/20 0.37
PRKCB P05771 2/20 0.37
PRKCA P17252 2/20 0.37
NSD3 Q9BZ95 1/20 0.37
GSK3B P49841 2/20 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
SCHEMBL4869521 0.86 PDE10A (0.46) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL7030913 0.84 TLR8 (0.41) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL6421708 0.83 TLR8 (0.42)
SCHEMBL8086790 0.83 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14CYP11B1
SCHEMBL31282496 0.82 CYP2A6 (0.65) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL708867 0.82 CYP2A6 (0.65) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
Ammonia Solution, Strong SCHEMBL1149566 0.81 CYP2A6 (0.63) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2386354 0.81 CYP2A6 (0.63) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
Hydrochloric Acid SCHEMBL1149529 0.81 CYP2A6 (0.63) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL4870581 0.81 CYP2E1 (0.41) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6

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 CYP2E1 323/4885CYP3A4 30/4885CYP2A6 57/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL CYP2E1 362/4885CYP3A4 120/4885CYP2A6 68/4885

“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.