SCHEMBL3101274

SCHEMBL3101274

C=Cc1c(C#N)cnc2ccc(=O)n(C)c12

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 2/20 0.33
KDM5A P29375 2/20 0.32
HSD17B13 Q7Z5P4 1/20 0.32
SRC P12931 1/20 0.32
BRD1 O95696 1/20 0.32
MAPK1 P28482 1/20 0.31
LRRK2 Q5S007 4/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
PGR P06401 1/20 0.30
EGFR P00533 2/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
PIK3CG P48736 1/20 0.30
ENPP1 P22413 1/20 0.30
ERBB2 P04626 1/20 0.30
SLC22A12 Q96S37 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
SCHEMBL3374526 0.80 PIK3CA (0.31) PIK3CA
SCHEMBL3345775 0.78 HSD17B13 (0.35) BRPF1HSD17B13SRCBRD1MAPK1
SCHEMBL3107555 0.77 KDM4E (0.32) MEN1PKMKMT2AMTOR
SCHEMBL3102544 0.76 JAK2 (0.35) PIK3CAMTOR
SCHEMBL3104419 0.74 ALDH1A1 (0.38) SRCMAPK1MEN1KMT2A
SCHEMBL3098956 0.70 TGFBR1 (0.32) BRPF1
SCHEMBL3376345 0.70 MEN1 (0.32) MEN1KMT2APIK3CA
SCHEMBL3984313 0.68 KCNH2 (0.37) SRCENPP1
SCHEMBL3378590 0.66 CHEK1 (0.39) SRCLRRK2
SCHEMBL3378593 0.66 CHEK1 (0.39) SRCLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials GLAXO GROUP LIMITED (GB) 2010-10-07 US disclosed
EP-2029612-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS Glaxo Group Limited (GB) 2009-03-04 EP disclosed
WO-2008006648-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-01-17 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-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials TOP1, TOP2A, NDC1 BRPF1 1378/4885KDM5A 1371/4885HSD17B13 4732/4885

“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.