SCHEMBL5875946

SCHEMBL5875946

C1=CC(c2ccccc2)Cc2[nH]nc(-c3ccsc3)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.38
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2B6 P20813 1/20 0.35
HCAR2 Q8TDS4 2/20 0.34
FLT1 P17948 6/20 0.34
KDR P35968 6/20 0.34
KIT P10721 5/20 0.34
LMNA P02545 1/20 0.34
MAPK10 P53779 1/20 0.34
HTR7 P34969 1/20 0.33
P2RX3 P56373 2/20 0.32
ADORA1 P30542 1/20 0.32
CCNE2 O96020 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
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 0.85 MAPK10 (0.46) HCAR2KDRLMNAMAPK10HTR7
SCHEMBL5877114 0.83 MKNK1 (0.40) HCAR2LMNAMAPK10HTR7CDK2
SCHEMBL5877629 0.81 LMNA (0.33) HCAR2LMNAMAPK10HTR7TDO2
SCHEMBL5876817 0.80 KDM4E (0.39) ADORA2AHCAR2KDRLMNAMAPK10
SCHEMBL5877175 0.78 IDO1 (0.45) CYP2A6LMNAMAPK10HTR7NPY5R
SCHEMBL5876901 0.76 LRRK2 (0.40) HCAR2LMNAMAPK10HTR7NPY5R
SCHEMBL5877380 0.76 HDAC4 (0.37) HCAR2LMNAMAPK10HTR7
SCHEMBL5878068 0.76 PIM1 (0.40) HCAR2KDRLMNAMAPK10HTR7
SCHEMBL5875924 0.75 HCAR2 (0.38) HCAR2LMNAMAPK10HTR7
SCHEMBL5878102 0.75 IDO1 (0.42) CYP2E1CYP2A6CYP2B6HCAR2KDR

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 ADORA2A 544/4885CYP2E1 27/4885CYP2A6 250/4885

“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.