SCHEMBL8204568

SCHEMBL8204568

CCCn1cnc(-c2cccnc2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.80
CYP2C19 P33261 6/20 0.80
CYP3A4 P08684 6/20 0.80
CYP2C9 P11712 5/20 0.80
CYP2E1 P05181 3/20 0.80
CYP2B6 P20813 3/20 0.80
CYP2D6 P10635 3/20 0.63
KDM5A P29375 1/20 0.50
KDM5B Q9UGL1 1/20 0.50
TLR8 Q9NR97 1/20 0.48
GRM2 Q14416 2/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
CYP19A1 P11511 1/20 0.43
ALK Q9UM73 1/20 0.42
CYP1A2 P05177 2/20 0.42
PIM1 P11309 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL12478490 0.91 CYP2A6 (0.76) CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1
SCHEMBL13750026 0.90 CYP2C9 (0.74) CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1
SCHEMBL3604362 0.89 CYP2A6 (1.00) CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1
SCHEMBL13527253 0.89 CYP2C9 (0.72) CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1
SCHEMBL1132959 0.85 CYP2A6 (0.70) CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1
SCHEMBL5017549 0.85 CYP2A6 (0.70) CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1
SCHEMBL5017551 0.85 CYP2A6 (0.70) CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1
SCHEMBL5016762 0.85 CYP2A6 (0.70) CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1
SCHEMBL5493639 0.85 CYP2A6 (0.70) CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1
SCHEMBL5015514 0.85 CYP2A6 (0.70) CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1

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-1044208-A1 ERYTHROMYCIN DERIVATIVES Pfizer Products Inc. (US) 2000-10-18 EP claimed
WO-1999035157-A1 NOVEL ERYTHROMYCIN DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-07-15 WO claimed
EP-3250585-B1 CRYSTAL STRUCTURE OF THE LARGE RIBOSOMAL SUBUNIT FROM S. AUREUS YEDA RES & DEV (IL) 2019-08-14 EP disclosed
US-9139609-B2 C-4″ position substituted macrolide derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-22 US disclosed
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-13 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 (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-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MRPL21, MRPS34, MRPL37 CYP2A6 884/4885CYP2C19 508/4885CYP3A4 67/4885

“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.