SCHEMBL5877114

SCHEMBL5877114

C1=CC(c2ccccc2)Cc2[nH]nc(-c3ccncc3)c21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.40
LMNA P02545 1/20 0.39
MAPK10 P53779 1/20 0.39
HTR7 P34969 1/20 0.38
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
RAF1 P04049 1/20 0.34
CDC7 O00311 1/20 0.34
PRCP P42785 1/20 0.34
MAPK1 P28482 1/20 0.34
NOTUM Q6P988 1/20 0.33
PIM1 P11309 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL5876644 0.92 MAPK10 (0.46) LMNAMAPK10HTR7HCAR2PIM1
SCHEMBL5877175 0.86 IDO1 (0.45) LMNAMAPK10HTR7MAPK1PIM1
SCHEMBL5875946 0.83 ADORA2A (0.38) LMNAMAPK10HTR7CDK2HCAR2
SCHEMBL5876901 0.82 LRRK2 (0.40) LMNAMAPK10HTR7HCAR2PRCP
SCHEMBL5876817 0.81 KDM4E (0.39) LMNAMAPK10HTR7HCAR2MAPK1
SCHEMBL5878102 0.81 IDO1 (0.42) LMNAMAPK10HTR7HCAR2PIM1
SCHEMBL5875877 0.80 NISCH (0.41) LMNAMAPK10HTR7CDK2HCAR2
SCHEMBL5875980 0.79 PDPK1 (0.40) LMNAMAPK10HTR7HCAR2CDC7
SCHEMBL5876657 0.79 HDAC4 (0.37) LMNAMAPK10HTR7HCAR2
SCHEMBL5877629 0.79 LMNA (0.33) LMNAMAPK10HTR7HCAR2

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-7119115-B2 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2006-10-10 US disclosed
US-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2004-08-19 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-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology IDO1, IDO2, INMT MKNK1 1340/4885LMNA 4385/4885MAPK10 3260/4885

“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.