SCHEMBL6180702

SCHEMBL6180702

CCN1CCCC1CNC(=O)c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.49
ROCK1 Q13464 2/20 0.49
MCHR1 Q99705 2/20 0.48
MCHR2 Q969V1 1/20 0.47
TGFBR1 P36897 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 2/20 0.44
IKBKB O14920 1/20 0.44
CAMK2D Q13557 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
DRD2 P14416 2/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6180820 0.84 TGFBR1 (0.48) ROCK2ROCK1TGFBR1ALDH1A1LMNA
SCHEMBL6179158 0.81 TGFBR1 (0.53) ROCK2TGFBR1
SCHEMBL6178605 0.78 TGFBR1 (0.70) TGFBR1DRD2
SCHEMBL12444984 0.78 TGFBR1 (0.57) ROCK2ROCK1TGFBR1KDM4EALDH1A1
SCHEMBL24312340 0.77 TGFBR1 (0.56) TGFBR1IKBKBKDM4E
SCHEMBL6180797 0.75 TGFBR1 (0.42) TGFBR1
SCHEMBL373292 0.75 TGFBR1 (0.66) TGFBR1KDM4EALDH1A1MAPT
SCHEMBL29358505 0.75 TGFBR1 (0.70) TGFBR1
SCHEMBL373524 0.75 TGFBR1 (0.70) TGFBR1
Water SCHEMBL21633982 0.74 TGFBR1 (0.69) TGFBR1

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 8 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
US-20040087623-A1 Pyrazole derivatives against tgf overexpression GLAXO GROUP LIMITED (GB) 2004-05-06 US 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 ROCK2 1102/4885ROCK1 458/4885MCHR1 4272/4885

“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.