SCHEMBL5878102

SCHEMBL5878102

C1=CC(c2ccccc2)Cc2[nH]nc(-c3cnc[nH]3)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.42
CYP3A4 P08684 2/20 0.42
HPGDS O60760 1/20 0.37
LTA4H P09960 1/20 0.36
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
LMNA P02545 1/20 0.34
MAPK10 P53779 1/20 0.34
PIM1 P11309 2/20 0.33
FLT3 P36888 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HTR7 P34969 1/20 0.33
NPY5R Q15761 1/20 0.32
TDO2 P48775 1/20 0.32

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 0.83 MAPK10 (0.46) IDO1LMNAMAPK10PIM1FLT3
SCHEMBL5877114 0.81 MKNK1 (0.40) LMNAMAPK10PIM1FLT3HCAR2
SCHEMBL5877175 0.80 IDO1 (0.45) IDO1CYP3A4LMNAMAPK10PIM1
SCHEMBL5877207 0.78 HDAC4 (0.37) CYP11B1CYP11B2LMNAMAPK10PIM1
SCHEMBL5878068 0.78 PIM1 (0.40) IDO1LMNAMAPK10PIM1FLT3
SCHEMBL5877396 0.77 LMNA (0.33) LMNAMAPK10PIM1FLT3HCAR2
SCHEMBL5875877 0.77 NISCH (0.41) LMNAMAPK10PIM1FLT3HCAR2
SCHEMBL5876901 0.76 LRRK2 (0.40) LMNAMAPK10PIM1HCAR2HTR7
SCHEMBL5875924 0.75 HCAR2 (0.38) LMNAMAPK10PIM1FLT3HCAR2
SCHEMBL5876817 0.75 KDM4E (0.39) CYP3A4LMNAMAPK10CYP2C9CYP2C19

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 IDO1 1/4885CYP3A4 26/4885HPGDS 672/4885

“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.