SCHEMBL13099698

SCHEMBL13099698

N#Cc1cccc(C(=O)Nc2n[nH]c3nc(-c4cnn5ccccc45)c(F)cc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.42
GSK3B P49841 3/20 0.41
CDK2 P24941 2/20 0.41
CLK2 P49760 2/20 0.41
CDK5 Q00535 2/20 0.41
DYRK1A Q13627 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
MAP4K5 Q9Y4K4 2/20 0.41
CDC7 O00311 1/20 0.41
DAPK3 O43293 1/20 0.41
ROCK2 O75116 1/20 0.41
PAK4 O96013 1/20 0.41
FLT3 P36888 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK8 P49336 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
PRKX P51817 1/20 0.41
MELK Q14680 1/20 0.41
MINK1 Q8N4C8 1/20 0.41

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
SCHEMBL8041157 0.92 CDK2 (0.40) GSK3BCDK2CLK2CDK5DYRK1A
SCHEMBL8031088 0.90 CDK2 (0.41) GSK3BCDK2CLK2CDK5DYRK1A
SCHEMBL3265538 0.88 GRM5 (0.43) GRM5GSK3BCDK2CLK2CDK5
SCHEMBL13099704 0.86 CDK2 (0.42) GSK3BCDK2CLK2CDK5DYRK1A
SCHEMBL8048689 0.86 MAP4K4 (0.42) GSK3BCDK2CLK2CDK5DYRK1A
SCHEMBL8043069 0.85 GSK3B (0.52) GSK3BCDK2CLK2CDK5DYRK1A
SCHEMBL8043054 0.84 EPHB3 (0.47) GSK3BIRAK4GSK3AROCK1
SCHEMBL8048684 0.82 ROCK1 (0.46) GSK3BIRAK4GSK3AROCK1
SCHEMBL13099662 0.81 IRAK4 (0.45) GSK3BIRAK4GSK3AROCK1
SCHEMBL8044716 0.81 EPHB3 (0.48) GSK3BIRAK4GSK3AROCK1

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-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2010-10-07 US disclosed
US-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2010-10-07 US 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-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME MAP3K20, MAP3K3, MAP3K1 GRM5 3144/4885GSK3B 208/4885CDK2 82/4885

“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.