SCHEMBL6179924

SCHEMBL6179924

CN1CCN(CCC(=O)Nc2ccc(-c3cc(-c4c[nH]nc4-c4ccccn4)ccn3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.53
NAMPT P43490 1/20 0.45
TP53 P04637 1/20 0.45
ACHE P22303 1/20 0.44
TERT O14746 1/20 0.44
ACVR1B P36896 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 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
SCHEMBL6180633 0.92 TGFBR1 (0.62) TGFBR1ACVR1BADORA2AADORA1SMN1; SMN2
SCHEMBL6180973 0.92 TGFBR1 (0.57) TGFBR1TERTLMNAMAPT
Hydrochloric Acid SCHEMBL6181405 0.92 TGFBR1 (0.57) TGFBR1TERTLMNAMAPT
SCHEMBL6179278 0.91 TGFBR1 (0.50) TGFBR1ACHEADORA3ADORA2AADORA1
SCHEMBL373333 0.84 TGFBR1 (0.70) TGFBR1TP53MAPT
SCHEMBL6180800 0.84 TGFBR1 (0.69) TGFBR1TP53MAPT
SCHEMBL6178826 0.80 TGFBR1 (0.56) TGFBR1ACVR1B
SCHEMBL6815275 0.76 ADORA3 (0.51) TGFBR1NAMPTTP53TERTADORA3
SCHEMBL6832570 0.75 PRKCI (0.46) TGFBR1
SCHEMBL373364 0.74 TGFBR1 (0.70) TGFBR1ACVR1B

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 TGFBR1 1/4885NAMPT 2645/4885TP53 1354/4885

“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.