SCHEMBL5201161

SCHEMBL5201161

Cc1cccc(-c2n[nH]cc2-c2cccc(-c3cnsn3)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.38
CYP2A6 P11509 1/20 0.35
METAP2 P50579 1/20 0.35
CCR1 P32246 1/20 0.34
CCR8 P51685 1/20 0.34
MAPK14 Q16539 6/20 0.33

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
SCHEMBL5200914 0.82 TGFBR1 (0.36) TGFBR1CYP2A6METAP2
SCHEMBL7100715 0.82 METAP2 (0.40) TGFBR1CYP2A6METAP2CCR1CCR8
SCHEMBL28758711 0.81 TGFBR1 (0.45) TGFBR1CYP2A6METAP2CCR1CCR8
SCHEMBL5201166 0.79 TGFBR1 (0.48) TGFBR1MAPK14
SCHEMBL27648484 0.78 TGFBR1 (0.52) TGFBR1CYP2A6METAP2CCR1CCR8
SCHEMBL5200287 0.78 MEN1 (0.40) TGFBR1CYP2A6METAP2CCR1CCR8
SCHEMBL19806325 0.75 TGFBR1 (0.68) TGFBR1MAPK14
SCHEMBL2047167 0.74 TGFBR1 (0.41) TGFBR1CYP2A6MAPK14
SCHEMBL411345 0.74 CYP2A6 (0.35) TGFBR1CYP2A6METAP2CCR1CCR8
SCHEMBL5492614 0.74 TGFBR1 (0.58) TGFBR1METAP2CCR1CCR8MAPK14

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
US-20060264440-A1 Pyrazoles and methods of making and using the same BIOGEN IDEC MA INC. (US) 2006-11-23 US claimed
EP-1596656-A4 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-10-18 EP claimed
JP-2006517592-A 2006-07-27 JP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed
EP-1596656-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-11-23 EP claimed
WO-2004072033-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-08-26 WO claimed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 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-20060264440-A1 Pyrazoles and methods of making and using the same ALK, ACVR1, ALKBH5 TGFBR1 26/4885CYP2A6 800/4885METAP2 3305/4885

“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.