SCHEMBL5188286

SCHEMBL5188286

NCCCn1cc(-c2ccnc3ccccc23)c(-c2ccccn2)n1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.70
MAPK14 Q16539 9/20 0.70
THRB P10828 1/20 0.46
CAMK2D Q13557 2/20 0.45
TGFBR2 P37173 1/20 0.44
ABL2 P42684 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
MAP3K20 Q9NYL2 1/20 0.44
GRM4 Q14833 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
BMP4 P12644 1/20 0.38
HTR2C P28335 1/20 0.36

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
SCHEMBL5091553 0.94 TGFBR1 (0.71) TGFBR1MAPK14THRBCAMK2DTGFBR2
SCHEMBL2050975 0.87 TGFBR1 (0.71) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL2045365 0.85 TGFBR1 (0.76) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL5186668 0.85 TGFBR1 (0.66) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL2679359 0.84 TGFBR1 (0.65) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL5200821 0.84 TGFBR1 (0.65) TGFBR1MAPK14THRBTGFBR2BMP4
SCHEMBL5930985 0.84 TGFBR1 (0.67) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL5278449 0.84 TGFBR1 (0.67) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL5186629 0.83 TGFBR1 (0.69) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL373455 0.82 TGFBR1 (1.00) TGFBR1MAPK14THRBTGFBR2ABL2

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 13 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
US-20060264440-A1 Pyrazoles and methods of making and using the same BIOGEN IDEC MA INC. (US) 2006-11-23 US disclosed
EP-1596656-A4 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-10-18 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO disclosed
EP-1596656-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-11-23 EP disclosed
WO-2004072033-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-08-26 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 26/4885MAPK14 1842/4885THRB 2709/4885

“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.