SCHEMBL6182297

SCHEMBL6182297

O=C(Cc1ccnc(-c2ccc(F)cc2)c1)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.44
TLR7 Q9NYK1 1/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
WNT3A P56704 2/20 0.43
CTNNB1 P35222 1/20 0.43
MAOB P27338 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CES1 P23141 1/20 0.40
GRM4 Q14833 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SQOR Q9Y6N5 1/20 0.39
NPC1 O15118 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
SCHEMBL6181106 0.89 WNT3A (0.48) KMT2AWNT3ACTNNB1LOXL2CES1
SCHEMBL6182682 0.87 MAP4K4 (0.47) TGFBR1TLR7RAB9AKMT2ALOXL2
SCHEMBL6181580 0.87 WNT3A (0.45) TGFBR1TLR7RAB9AMEN1KMT2A
SCHEMBL6184116 0.86 TRPV1 (0.48) TGFBR1TLR7MEN1KMT2AWNT3A
SCHEMBL6179073 0.86 TLR7 (0.47) TLR7RAB9AMEN1KMT2AWNT3A
SCHEMBL6180356 0.84 RAB9A (0.48) TGFBR1TLR7RAB9AMEN1KMT2A
SCHEMBL6180198 0.84 TGFBR1 (0.47) TGFBR1RAB9AMEN1KMT2AWNT3A
SCHEMBL6180999 0.83 TLR7 (0.49) TLR7RAB9AMEN1KMT2AWNT3A
SCHEMBL6703618 0.83 RAB9A (0.51) TGFBR1RAB9AMEN1KMT2AALDH1A1
SCHEMBL38664275 0.82 RAB9A (0.54) TLR7RAB9AMEN1KMT2AWNT3A

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 5 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
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 (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 TGFBR1 1/4885TLR7 2928/4885RAB9A 3471/4885
US-20040087623-A1 Pyrazole derivatives against tgf overexpression TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885TLR7 4535/4885RAB9A 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.