SCHEMBL4822677

SCHEMBL4822677

N#Cc1ccc2nc[c]cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.41
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
CYP2A6 P11509 1/20 0.38
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
APP P05067 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
HPGDS O60760 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CSNK1A1 P48729 2/20 0.35
CSNK1D P48730 1/20 0.35
GSK3B P49841 1/20 0.35
CSNK1G2 P78368 1/20 0.35

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
SCHEMBL5748301 0.85 HPGDS (0.38) PIN1IMPDH2IMPDH1CYP2A6METAP2
SCHEMBL208180 0.84 MAP3K14 (0.35) CDC7
SCHEMBL16289744 0.81
SCHEMBL3386371 0.73 ESR2 (0.39) MAP4K4CLK4CDK8CLK2CDK9
SCHEMBL207483 0.73 NR4A2 (0.37) CYP2A6KDM4EALDH1A1DYRK1A
SCHEMBL208132 0.73 BACE1 (0.41) CYP2A6METAP2METAP1KDM4EALDH1A1
SCHEMBL5507525 0.73 KDM4E (0.50) HRH3KDM4EALDH1A1DYRK1A
SCHEMBL9003 0.73 BACE1 (0.41) CYP2A6METAP2KDM4EALDH1A1
SCHEMBL4657766 0.73 ALDH1A1 (0.50) PIN1CYP2A6KDM4EALDH1A1
SCHEMBL5559128 0.73 HPGDS (0.47) HPGDSCYP17A1CYP11B1CYP11B2MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39591-E1 6-O-substituted ketolides having antibacterial activity ABBOTT LABORATORIES (US) 2007-04-24 US claimed
EP-0929563-B1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LAB (US) 2005-06-01 EP claimed
EP-0929563-A1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY Abbott Laboratories (US) 1999-07-21 EP claimed
US-5866549-A MACROLIDE ANTIBIOTICS ABBOTT LABORATORIES (US) 1999-02-02 US claimed
WO-1998009978-A1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 1998-03-12 WO claimed
US-10736321-B2 Benzosultams and analogues and their use as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-08-11 US disclosed
US-20190335753-A1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-11-07 US disclosed
CN-106659161-B Amide compound and its harmful arthropod prevent and kill off purposes 住友化学株式会社 2019-08-02 CN disclosed
US-10251396-B2 Amide compound and use of same for noxious arthropod control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-04-09 US disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
US-20170295789-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-19 US disclosed
EP-1291350-A1 6-0 substituted ketolides having antibacterial activity ABBOTT LABORATORIES (US) 2003-03-12 EP disclosed
EP-1291353-A1 6-O-substituted ketolides having antibacterial activity ABBOTT LABORATORIES (US) 2003-03-12 EP disclosed
US-6147197-A INCREASED ACID STABILITY AND ENHANCED ACTIVITY TOWARD GRAM NEGATIVE BACTERIA AND MACROLIDE RESISTANT GRAM POSITIVE BACTERIA ABBVIE INC. 2000-11-14 US disclosed
US-6075133-A INCREASED ACID STABILITY AND ENHANCED BACTERICIDAL ACTIVITY ABBOTT LABORATORIES (US) 2000-06-13 US disclosed
US-6028181-A 6-0-Substituted antibacterial erythromycin ketolides and methods of making ABBOTT LABORATORIES (US) 2000-02-22 US disclosed
EP-0929563-A1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY Abbott Laboratories (US) 1999-07-21 EP disclosed
US-5866549-A MACROLIDE ANTIBIOTICS ABBOTT LABORATORIES (US) 1999-02-02 US disclosed
WO-1998009978-A1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 1998-03-12 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 (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-10736321-B2 Benzosultams and analogues and their use as fungicides GABBR1, DPM1, CYP51A1 PIN1 3025/4885IMPDH2 2165/4885IMPDH1 2290/4885
US-20170295789-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL OPRM1, TRPA1, L3MBTL3 PIN1 3114/4885IMPDH2 4570/4885IMPDH1 4635/4885
US-20190335753-A1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES GABBR1, DPM1, CYP51A1 PIN1 3025/4885IMPDH2 2165/4885IMPDH1 2290/4885
US-10251396-B2 Amide compound and use of same for noxious arthropod control OPRM1, TRPA1, L3MBTL3 PIN1 3114/4885IMPDH2 4570/4885IMPDH1 4635/4885

“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.