SCHEMBL6180633

SCHEMBL6180633

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.62
MGLL Q99685 1/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PORCN Q9H237 1/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 1/20 0.46
ADORA2A P29274 3/20 0.46
ADORA1 P30542 3/20 0.46
JAK2 O60674 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
ACVR1B P36896 1/20 0.43
THRB P10828 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
ESR1 P03372 2/20 0.42
PDGFRB P09619 2/20 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
SCHEMBL6179924 0.92 TGFBR1 (0.53) TGFBR1LMNASMN1; SMN2ADORA2AADORA1
SCHEMBL373333 0.92 TGFBR1 (0.70) TGFBR1MGLLGAAPORCNALDH1A1
SCHEMBL6180800 0.91 TGFBR1 (0.69) TGFBR1MGLLGAAPORCNALDH1A1
SCHEMBL6180973 0.85 TGFBR1 (0.57) TGFBR1LMNAALDH1A1MAPTTSHR
Hydrochloric Acid SCHEMBL6181405 0.84 TGFBR1 (0.57) TGFBR1LMNAALDH1A1NPSR1MAPT
SCHEMBL6179278 0.83 TGFBR1 (0.50) TGFBR1LMNAADORA2AADORA1
SCHEMBL5907465 0.81 TGFBR1 (0.50) TGFBR1MGLLLMNASMN1; SMN2ALDH1A1
SCHEMBL6178826 0.81 TGFBR1 (0.56) TGFBR1ACVR1B
SCHEMBL6832570 0.75 PRKCI (0.46) TGFBR1
SCHEMBL6180369 0.75 TGFBR1 (0.59) 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 1/4885MGLL 4830/4885GAA 2326/4885

“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.