SCHEMBL6179073

SCHEMBL6179073

CCc1ccc(-c2cc(CC(=O)c3ccccn3)ccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.47
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
WNT3A P56704 5/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
RIOK2 Q9BVS4 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTNNB1 P35222 1/20 0.39
F2 P00734 1/20 0.39
F12 P00748 1/20 0.39
KDR P35968 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6181580 0.89 WNT3A (0.45) TLR7NPC1RAB9AWNT3ALOXL2
SCHEMBL6181106 0.88 WNT3A (0.48) SMN1; SMN2WNT3ALMNALOXL2KMT2A
SCHEMBL6703618 0.87 RAB9A (0.51) NPC1RAB9AGAAPKMSMN1; SMN2
SCHEMBL6182297 0.86 TGFBR1 (0.44) TLR7NPC1RAB9AWNT3ALOXL2
SCHEMBL6182682 0.86 MAP4K4 (0.47) TLR7NPC1RAB9AGAASMN1; SMN2
SCHEMBL6180356 0.85 RAB9A (0.48) TLR7NPC1RAB9AGAAPKM
SCHEMBL6180198 0.85 TGFBR1 (0.47) NPC1RAB9AGAAPKMSMN1; SMN2
SCHEMBL6184116 0.83 TRPV1 (0.48) TLR7WNT3ALOXL2MEN1KMT2A
SCHEMBL6180999 0.82 TLR7 (0.49) TLR7NPC1RAB9AGAASMN1; SMN2
SCHEMBL6198811 0.80 CHRNA7 (0.43) NPC1RAB9AGAAWNT3AKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355903-B1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION SMITHKLINE BEECHAM CORP (US) 2005-03-16 EP disclosed
US-20040087623-A1 Pyrazole derivatives against tgf overexpression GLAXO GROUP LIMITED (GB) 2004-05-06 US disclosed
US-20040077687-A1 Thiazolmines and their use as tgf-beta inhibitors GLAXO GROUP LIMITED (GB) 2004-04-22 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 (2 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-20040077687-A1 Thiazolmines and their use as tgf-beta inhibitors TGFBR1, TGFB1, TGFBR2 TLR7 2928/4885NPC1 1167/4885RAB9A 3471/4885
US-20040087623-A1 Pyrazole derivatives against tgf overexpression TGFBR1, SMAD3, TGFBR2 TLR7 4535/4885NPC1 1560/4885RAB9A 2084/4885

“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.