SCHEMBL6654480

SCHEMBL6654480

[CH2]/C=C/c1cncc(-c2ncccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
RAF1 P04049 3/20 0.38
HDAC1 Q13547 2/20 0.33
KDM1A O60341 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGDS O60760 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.30
ROCK2 O75116 1/20 0.30
MAP4K4 O95819 1/20 0.30
PRKACA P17612 1/20 0.30
ROCK1 Q13464 1/20 0.30
DYRK1A Q13627 1/20 0.30
NTRK3 Q16288 1/20 0.30
PKN2 Q16513 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL6654481 1.00 CYP2A6 (0.41) CYP2A6RAF1HDAC1KDM1AHDAC6
SCHEMBL6753903 0.80 CYP2A6 (0.49) CYP2A6RAF1HDAC1KDM1AHDAC6
SCHEMBL4814697 0.77 CYP2A6 (0.52) CYP2A6RAF1MEN1DYRK1AMKNK2
SCHEMBL4822196 0.76 PTGS2 (0.42) HDAC1KDM1AHDAC6MKNK2PTGS2
SCHEMBL6655430 0.76 CLK4 (0.44) CYP2A6HDAC1KDM1AHDAC6NPC1
SCHEMBL6226582 0.73 CLK4 (0.44) CYP2A6KDM1AMEN1NPC1RAB9A
SCHEMBL23501621 0.67 CYP2A6 (0.48) CYP2A6MKNK2
SCHEMBL5027205 0.67 CYP2A6 (0.48) CYP2A6MEN1NPC1RAB9AKMT2A
SCHEMBL5799279 0.67 PTK2 (0.52) CYP2A6MEN1NPC1RAB9AKMT2A
SCHEMBL29933971 0.67 CYP2A6 (0.48) CYP2A6MEN1NPC1RAB9AKMT2A

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
EP-1430068-A1 6-O-CARBAMATE-11,12-LACTO-KETOLIDE ANTIMICROBIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-06-23 EP disclosed
US-6713455-B2 A BICYCLIC HETEROAROMATIC COMPOUND CONTAINING TWO KETO, TWO ESTER, A CARBAMATE GROUPS AND A METHYL, HYDROXY AND AMINE SUBSTITUTED OXYPYRAN RING; USEFUL ANTIBACTERIAL AGENT FOR TREATING PNEUMONIA, SKIN, SOFT TISSUE AND BONE INFECTIONS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-03-30 US disclosed
US-20030125267-A1 6-O-carbamate-11,12-lacto-ketolide antimicrobials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-03 US disclosed
WO-2003024986-A1 6-O-CARBAMATE-11,12-LACTO-KETOLIDE ANTIMICROBIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-03-27 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-20030125267-A1 6-O-carbamate-11,12-lacto-ketolide antimicrobials ARG1, LPO, Q6ZSR9 CYP2A6 601/4885RAF1 1404/4885HDAC1 237/4885

“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.