SCHEMBL5875980

SCHEMBL5875980

C1=CC(c2ccccc2)Cc2[nH]nc(-c3nccs3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.40
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
CDC7 O00311 1/20 0.35
LMNA P02545 1/20 0.33
MAPK10 P53779 1/20 0.33
NR3C1 P04150 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
P2RX3 P56373 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HTR7 P34969 1/20 0.32
CYP2A6 P11509 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31
KDM1A O60341 1/20 0.30
MAOB P27338 1/20 0.30
TACR1 P25103 1/20 0.30
ADRA2A P08913 1/20 0.30

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 0.81 MAPK10 (0.46) LMNAMAPK10HCAR2HTR7
SCHEMBL5876817 0.81 KDM4E (0.39) ADORA2ALMNAMAPK10HCAR2CYP1A2
SCHEMBL5876901 0.79 LRRK2 (0.40) LMNAMAPK10HCAR2HTR7
SCHEMBL5877114 0.79 MKNK1 (0.40) CDC7LMNAMAPK10HCAR2HTR7
SCHEMBL5875946 0.78 ADORA2A (0.38) ADORA2AADORA1LMNAMAPK10HCAR2
SCHEMBL5875877 0.77 NISCH (0.41) LMNAMAPK10HCAR2HTR7ADRA2A
SCHEMBL5877629 0.76 LMNA (0.33) LMNAMAPK10HCAR2CYP1A2CYP3A4
SCHEMBL5878068 0.76 PIM1 (0.40) LMNAMAPK10HCAR2HTR7
SCHEMBL5876657 0.76 HDAC4 (0.37) LMNAMAPK10HCAR2P2RX3CYP3A4
SCHEMBL5877175 0.76 IDO1 (0.45) LMNAMAPK10CYP1A2CYP3A4HTR7

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 PDPK1 919/4885ADORA2A 544/4885ADORA1 425/4885

“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.