SCHEMBL3103592

SCHEMBL3103592

[CH2]/C=C/c1cncc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.44
KDR P35968 2/20 0.44
ERBB2 P04626 1/20 0.44
PRKCZ Q05513 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1A P35348 1/20 0.39
CYP11B2 P19099 7/20 0.37
CYP11B1 P15538 6/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
ERN1 O75460 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GPR3 P46089 1/20 0.35
SRD5A1 P18405 1/20 0.34

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
SCHEMBL3103597 1.00 AURKA (0.44) AURKAKDRERBB2PRKCZADRA2A
SCHEMBL3164183 0.81 GRM4 (0.47) AURKAKDRERBB2CYP11B2CYP11B1
SCHEMBL3164179 0.81 GRM4 (0.47) AURKAKDRERBB2CYP11B2CYP11B1
SCHEMBL7198142 0.81 AURKA (0.44) AURKAKDRERBB2PRKCZADRA2A
SCHEMBL6301827 0.80 AURKA (0.43) AURKAKDRERBB2PRKCZADRA2A
SCHEMBL6655162 0.78 AURKA (0.45) AURKAKDRERBB2PRKCZADRA2A
SCHEMBL6655165 0.78 AURKA (0.45) AURKAKDRERBB2PRKCZADRA2A
SCHEMBL18387869 0.77 AURKA (0.41) AURKAKDRERBB2PRKCZADRA2A
SCHEMBL6879468 0.77 AURKA (0.41) AURKAKDRERBB2PRKCZADRA2A
SCHEMBL6879477 0.77 AURKA (0.41) AURKAKDRERBB2PRKCZADRA2A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365174-B2 Azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-29 US claimed
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-22 US claimed
EP-1661904-A1 NOVEL AZALIDE AND AZALACTAM DERIVATIVES AND PROCESS FOR THE PRODUCTION OF THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2006-05-31 EP claimed
CN-1589277-A 6-O-carbamate-11,12-lacto-ketolide antimicrobials ORTHO MCNEIL PHARM INC (US) 2005-03-02 CN claimed
EP-1430068-A1 6-O-CARBAMATE-11,12-LACTO-KETOLIDE ANTIMICROBIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-06-23 EP claimed
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 claimed
US-20030125267-A1 6-O-carbamate-11,12-lacto-ketolide antimicrobials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-03 US claimed
WO-2003024986-A1 6-O-CARBAMATE-11,12-LACTO-KETOLIDE ANTIMICROBIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-03-27 WO claimed
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
CN-101784520-B Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-02 CN disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
CN-101784520-A Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-07-21 CN disclosed
US-20030125267-A1 6-O-carbamate-11,12-lacto-ketolide antimicrobials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-03 US disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO 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 (5 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 AURKA 3172/4885KDR 3743/4885ERBB2 3651/4885
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 AURKA 2147/4885KDR 4278/4885ERBB2 3466/4885
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same BCL6, NR4A1, NR4A2 AURKA 3647/4885KDR 2700/4885ERBB2 1427/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 AURKA 4064/4885KDR 250/4885ERBB2 781/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E AURKA 2226/4885KDR 4289/4885ERBB2 3513/4885

“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.