SCHEMBL9039612

SCHEMBL9039612

Nc1ccnc2[nH]c(=O)[nH]c(=O)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.58
AURKB Q96GD4 2/20 0.40
GDA Q9Y2T3 2/20 0.39
ACHE P22303 1/20 0.39
DAO P14920 2/20 0.37
RPS6KA3 P51812 1/20 0.37
BLM P54132 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
PABPC1 P11940 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
CASP7 P55210 1/20 0.36
PMP22 Q01453 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE3B Q13370 1/20 0.36

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
SCHEMBL3254704 0.78 AURKA (0.46) AURKAAURKBGDAACHEKDM4E
SCHEMBL21895410 0.77 AURKA (0.45) AURKAGDAACHEDAOMAPT
SCHEMBL18879069 0.75 AURKA (0.48) AURKAAURKBGDAACHEDAO
SCHEMBL3459309 0.74 AURKA (1.00) AURKAAURKB
SCHEMBL9037748 0.71 AURKA (0.39) AURKAAURKBGDAACHEKDM4E
SCHEMBL4515077 0.69 PARP1 (0.48) AURKAAURKBRPS6KA3TDP1KDM4E
SCHEMBL9038148 0.69 AURKA (0.49) AURKADAOBLMKDM4EALDH1A1
SCHEMBL9037622 0.68 EGFR (0.48) AURKAKDM4EHSD17B10PKM
SCHEMBL28919098 0.68 AURKA (0.40) AURKA
SCHEMBL3725069 0.68 GDA (0.40) AURKAAURKBGDAACHERPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS EFFECTOR THERAPEUTICS, INC. 2017-05-25 US disclosed
EP-0696590-A1 Pyrido[2,3-d]pyrimidine derivatives, their preparation and their use as anti-asthma agents NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1996-02-14 EP 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-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS MAP3K9, MAP3K19, MAP3K20 AURKA 264/4885AURKB 237/4885GDA 4559/4885

“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.