SCHEMBL4297906

SCHEMBL4297906

Cc1cnc2ncc(=O)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.43
MAPKAPK2 P49137 1/20 0.41
RPS6KA3 P51812 1/20 0.41
CSNK2A1 P68400 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 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
SCHEMBL4146190 0.76 SMN1; SMN2 (0.55) AURKAMAPKAPK2RPS6KA3CSNK2A1PLK3
SCHEMBL3020577 0.76 MAPKAPK2 (0.41) MAPKAPK2RPS6KA3CSNK2A1PLK3SMN1; SMN2
SCHEMBL14361905 0.76 KDM4E (0.44) AURKAMAPKAPK2RPS6KA3CSNK2A1PLK3
SCHEMBL18193695 0.76 ALDH1A1 (0.40) MAPKAPK2RPS6KA3CSNK2A1PLK3SMN1; SMN2
SCHEMBL19094567 0.76 NOS3 (0.40) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL2756735 0.73 SMN1; SMN2 (0.67) AURKASMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL2619124 0.73 MAPKAPK2 (0.50) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL19782741 0.73 GRIN2D (0.44) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL4135331 0.73 CA12 (0.46) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL18484897 0.72 CYP1A2 (0.36) MAPKAPK2RPS6KA3CSNK2A1PLK3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 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 (2 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ AURKA 1914/4885MAPKAPK2 3756/4885RPS6KA3 1519/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 AURKA 1890/4885MAPKAPK2 1808/4885RPS6KA3 4033/4885

“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.