SCHEMBL6656718

SCHEMBL6656718

O=CC=Cc1cccc(-c2ncccn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 3/20 0.51
CDK1 P06493 3/20 0.51
CDK4 P11802 3/20 0.51
CCNB1 P14635 3/20 0.51
CCND1 P24385 3/20 0.51
CCNB3 Q8WWL7 3/20 0.51
ALDH1A1 P00352 3/20 0.47
TRPA1 O75762 2/20 0.47
LMNA P02545 1/20 0.47
ALOX5 P09917 1/20 0.47
MAPK1 P28482 1/20 0.47
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
CLK4 Q9HAZ1 2/20 0.42
DYRK1A Q13627 1/20 0.42
XDH P47989 2/20 0.41
BRD4 O60885 1/20 0.39
PIM2 Q9P1W9 1/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL6656713 1.00 CCNB2 (0.51) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL6660140 0.82 TLR4 (0.63) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL6660136 0.82 TLR4 (0.63) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL4542037 0.82 TRIM24 (0.51) ALDH1A1LMNATLR4TLR2CLK4
SCHEMBL5799195 0.80 ALDH1A1 (0.52) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL5799192 0.80 ALDH1A1 (0.52) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL6655430 0.79 CLK4 (0.44) ALDH1A1TLR4TLR2CLK4DYRK1A
SCHEMBL9421099 0.78 ALDH1A1 (0.65) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL408645 0.78 ALDH1A1 (0.65) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL6655803 0.77 MKNK1 (0.49) CCNB2CDK1CDK4CCNB1CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
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-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 US disclosed
US-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 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
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
US-6472372-B1 6-O-Carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 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 (4 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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 CCNB2 3848/4885CDK1 2656/4885CDK4 2970/4885
US-20030125267-A1 6-O-carbamate-11,12-lacto-ketolide antimicrobials ARG1, LPO, Q6ZSR9 CCNB2 2555/4885CDK1 1366/4885CDK4 1178/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 CCNB2 3469/4885CDK1 1617/4885CDK4 1910/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E CCNB2 3483/4885CDK1 1585/4885CDK4 1965/4885

“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.