SCHEMBL6181580

SCHEMBL6181580

Cc1ccc(-c2cc(CC(=O)c3ccccn3)ccn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 5/20 0.45
KDM4E B2RXH2 1/20 0.45
GFER P55789 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
TGFBR1 P36897 1/20 0.44
CTNNB1 P35222 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM1A O60341 2/20 0.41
HDAC1 Q13547 2/20 0.41
KDR P35968 1/20 0.41
PTGS2 P35354 1/20 0.40
CES1 P23141 1/20 0.40

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
SCHEMBL6181106 0.89 WNT3A (0.48) WNT3AKDM4ECTNNB1LOXL2KMT2A
SCHEMBL6179073 0.89 TLR7 (0.47) WNT3ANPC1RAB9ATLR7CTNNB1
SCHEMBL6182297 0.87 TGFBR1 (0.44) WNT3ANPC1RAB9ATLR7TGFBR1
SCHEMBL6182682 0.87 MAP4K4 (0.47) KDM4ENPC1RAB9ATLR7TGFBR1
SCHEMBL6180356 0.86 RAB9A (0.48) KDM4ENPC1RAB9ATLR7TGFBR1
SCHEMBL6180198 0.86 TGFBR1 (0.47) WNT3ANPC1RAB9ATGFBR1CTNNB1
SCHEMBL6703618 0.85 RAB9A (0.51) KDM4ENPC1RAB9ATGFBR1MEN1
SCHEMBL6184116 0.84 TRPV1 (0.48) WNT3ATLR7TGFBR1CTNNB1LOXL2
SCHEMBL38664624 0.82 NPC1 (0.60) WNT3AKDM4ENPC1RAB9ATLR7
SCHEMBL6180999 0.81 TLR7 (0.49) WNT3AKDM4ENPC1RAB9ATLR7

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 4 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
EP-1355903-A1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-29 EP disclosed
WO-2002066462-A1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION GLAXO GROUP LIMITED (GB) 2002-08-29 WO 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-20040087623-A1 Pyrazole derivatives against tgf overexpression TGFBR1, SMAD3, TGFBR2 WNT3A 169/4885KDM4E 3690/4885GFER 4520/4885

“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.