SCHEMBL6180820

SCHEMBL6180820

O=C(NCC1CCCCC1)c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.48
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
MAPK14 Q16539 1/20 0.45
ROCK2 O75116 3/20 0.45
ROCK1 Q13464 1/20 0.45
GABRA5 P31644 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ITK Q08881 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6179158 0.91 TGFBR1 (0.53) TGFBR1ACACBACACAMAPK14ROCK2
SCHEMBL12444984 0.86 TGFBR1 (0.57) TGFBR1MAPK14ROCK2ROCK1SMN1; SMN2
SCHEMBL6180702 0.84 ROCK2 (0.49) TGFBR1ROCK2ROCK1ALDH1A1LMNA
SCHEMBL24312340 0.83 TGFBR1 (0.56) TGFBR1MAPK14MEN1KMT2A
SCHEMBL6178605 0.82 TGFBR1 (0.70) TGFBR1MAPK14KMT2AITKSMN1; SMN2
SCHEMBL29358505 0.80 TGFBR1 (0.70) TGFBR1MAPK14GABRA5
SCHEMBL373524 0.80 TGFBR1 (0.70) TGFBR1MAPK14GABRA5
SCHEMBL373334 0.79 TGFBR1 (0.69) TGFBR1
Water SCHEMBL21633982 0.79 TGFBR1 (0.69) TGFBR1MAPK14GABRA5
Water SCHEMBL29649719 0.79 TGFBR1 (0.69) TGFBR1MAPK14GABRA5

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 7 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 claimed
EP-1355903-A1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-29 EP claimed
WO-2002066462-A1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION GLAXO GROUP LIMITED (GB) 2002-08-29 WO claimed
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 TGFBR1 1/4885ACACB 2052/4885ACACA 2056/4885

“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.