SCHEMBL5875877

SCHEMBL5875877

C1=CC(c2ccccc2)Cc2[nH]nc(-c3ncc[nH]3)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.41
MTOR P42345 1/20 0.41
ADK P55263 1/20 0.41
LMNA P02545 1/20 0.33
MAPK10 P53779 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
HTR7 P34969 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CSNK1A1 P48729 1/20 0.32
TYRO3 Q06418 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.31
CDK4 P11802 1/20 0.31
CCNA2 P20248 1/20 0.31
CCND1 P24385 1/20 0.31
CDK2 P24941 1/20 0.31
CCND3 P30281 1/20 0.31

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 0.82 MAPK10 (0.46) LMNAMAPK10HCAR2HTR7ALDH1A1
SCHEMBL5876901 0.80 LRRK2 (0.40) LMNAMAPK10HCAR2HTR7PIM1
SCHEMBL5877114 0.80 MKNK1 (0.40) LMNAMAPK10HCAR2HTR7CDK2
SCHEMBL5875924 0.79 HCAR2 (0.38) LMNAMAPK10HCAR2HTR7PIM1
SCHEMBL5876657 0.77 HDAC4 (0.37) LMNAMAPK10HCAR2HTR7ADRA2A
SCHEMBL5877175 0.77 IDO1 (0.45) LMNAMAPK10HTR7ALDH1A1MEN1
SCHEMBL5878102 0.77 IDO1 (0.42) LMNAMAPK10HCAR2HTR7CSNK1A1
SCHEMBL5877396 0.76 LMNA (0.33) LMNAMAPK10HCAR2HTR7PIM1
SCHEMBL5877629 0.75 LMNA (0.33) LMNAMAPK10HCAR2HTR7KDM4E
SCHEMBL5877380 0.75 HDAC4 (0.37) LMNAMAPK10HCAR2HTR7

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 NISCH 845/4885MTOR 965/4885ADK 2036/4885

“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.