SCHEMBL335666

SCHEMBL335666

Cc1cc(C=O)cnc1C#N

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
SRC P12931 1/20 0.33
PTGER4 P35408 1/20 0.32
ALDH1A1 P00352 3/20 0.32
ALDH1A3 P47895 2/20 0.31
HPGD P15428 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
RAF1 P04049 1/20 0.30
CYP2A6 P11509 1/20 0.30
AR P10275 1/20 0.30
PIK3CD O00329 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 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
SCHEMBL27144977 0.81 KDM4E (0.33) KDM4ESRCPTGER4ALDH1A1ALDH1A3
SCHEMBL335665 0.78 ALDH1A1 (0.41) KDM4EALDH1A1ALDH1A3PIK3CDPOLB
SCHEMBL13198899 0.78 EGLN2 (0.38) KDM4EALDH1A1JAK2JAK1PIK3CD
SCHEMBL31457178 0.77 NPC1 (0.37) KDM4EALDH1A1HPGDARPOLB
SCHEMBL20168396 0.76 KCNJ1 (0.41) ALDH1A1HPGDJAK2JAK1
SCHEMBL20614198 0.74 CHRNB2 (0.38) KDM4EPTGER4ALDH1A1HPGDGLA
SCHEMBL335598 0.74 ALDH1A1 (0.39) KDM4ESRCPTGER4ALDH1A1ALDH1A3
SCHEMBL4918585 0.74 NOS3 (0.46) KDM4EALDH1A1JAK2JAK1CYP2A6
SCHEMBL30590409 0.74 ALDH1A1 (0.39) KDM4ESRCPTGER4ALDH1A1ALDH1A3
SCHEMBL29951110 0.72 SRC (0.36) KDM4ESRCPTGER4ALDH1A1ALDH1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661510-A Isoxazoline substituted pyridine amide compound and preparation method and application thereof 华南农业大学 2025-03-21 CN disclosed
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
EP-2300476-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-03-30 EP disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 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-20090306089-A1 COMPOUNDS SDHA, NQO1, SDHB KDM4E 4508/4885SRC 3421/4885PTGER4 1773/4885

“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.