SCHEMBL5876901

SCHEMBL5876901

C1=CC(c2ccccc2)Cc2[nH]nc(-c3ccccn3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.40
PIM1 P11309 3/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TGFBR1 P36897 2/20 0.36
MAPK14 Q16539 1/20 0.36
PIM2 Q9P1W9 2/20 0.35
PIM3 Q86V86 1/20 0.35
LMNA P02545 1/20 0.35
MAPK10 P53779 1/20 0.35
NPY5R Q15761 1/20 0.34
PRCP P42785 2/20 0.34
HTR7 P34969 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PIN1 Q13526 1/20 0.33
ALPL P05186 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 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 0.84 MAPK10 (0.46) PIM1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5877396 0.82 LMNA (0.33) PIM1LMNAMAPK10HTR7HCAR2
SCHEMBL5877114 0.82 MKNK1 (0.40) PIM1LMNAMAPK10PRCPHTR7
SCHEMBL5877629 0.81 LMNA (0.33) NPC1RAB9ASMN1; SMN2LMNAMAPK10
SCHEMBL5877380 0.81 HDAC4 (0.37) LMNAMAPK10HTR7HCAR2
SCHEMBL5875877 0.80 NISCH (0.41) PIM1LMNAMAPK10HTR7HCAR2
SCHEMBL5876657 0.79 HDAC4 (0.37) LMNAMAPK10HTR7HCAR2
SCHEMBL5877175 0.79 IDO1 (0.45) LRRK2PIM1SMN1; SMN2PIM2PIM3
SCHEMBL5875946 0.76 ADORA2A (0.38) LMNAMAPK10NPY5RHTR7HCAR2
SCHEMBL5875924 0.76 HCAR2 (0.38) PIM1LMNAMAPK10HTR7HCAR2

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 LRRK2 1067/4885PIM1 143/4885NPC1 257/4885

“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.