SCHEMBL5017549

SCHEMBL5017549

[S]CCn1cnc(-c2cccnc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 10/20 0.70
CYP2C19 P33261 6/20 0.70
CYP3A4 P08684 6/20 0.70
CYP2C9 P11712 5/20 0.70
CYP2B6 P20813 5/20 0.70
CYP2E1 P05181 4/20 0.70
CYP2D6 P10635 3/20 0.63
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
CYP1A2 P05177 3/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGDS O60760 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40

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
SCHEMBL5015514 0.85 CYP2A6 (0.70) CYP2A6CYP2C19CYP3A4CYP2C9CYP2B6
SCHEMBL5017551 0.85 CYP2A6 (0.70) CYP2A6CYP2C19CYP3A4CYP2C9CYP2B6
SCHEMBL8204568 0.85 CYP2A6 (0.80) CYP2A6CYP2C19CYP3A4CYP2C9CYP2B6
SCHEMBL1132959 0.85 CYP2A6 (0.70) CYP2A6CYP2C19CYP3A4CYP2C9CYP2B6
SCHEMBL5016762 0.85 CYP2A6 (0.70) CYP2A6CYP2C19CYP3A4CYP2C9CYP2B6
SCHEMBL5493639 0.85 CYP2A6 (0.70) CYP2A6CYP2C19CYP3A4CYP2C9CYP2B6
SCHEMBL5014459 0.84 CYP2A6 (0.68) CYP2A6CYP2C19CYP3A4CYP2C9CYP2B6
SCHEMBL3604362 0.83 CYP2A6 (1.00) CYP2A6CYP2C19CYP3A4CYP2C9CYP2B6
SCHEMBL7588204 0.82 CYP2A6 (0.67) CYP2A6CYP2C19CYP3A4CYP2C9CYP2B6
SCHEMBL12478490 0.82 CYP2A6 (0.76) CYP2A6CYP2C19CYP3A4CYP2C9CYP2B6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313751-B1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2008-09-17 EP disclosed
US-6740642-B2 ACTIVE AGAINST GRAM POSITIVE PATHOGENS SUCH AS STAPHYLOCOCCUS AUREUS, STREPTOCOCCUS PNEUMONIAE, GRAM NEGATIVE STRAINS SUCH AS HAEMOPHILUS INFLUENZAE; IMPROVED STABILITY BASILEA PARMACEUTICA AG (CH) 2004-05-25 US disclosed
US-20030199459-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG, A SWISS COMPANY (CH) 2003-10-23 US disclosed
EP-1313751-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2003-05-28 EP disclosed
WO-2002016380-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2002-02-28 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 (1 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-20030199459-A1 Macrolides with antibacterial activity MRPL21, MRPS22, MRPL12 CYP2A6 405/4885CYP2C19 499/4885CYP3A4 489/4885

“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.