SCHEMBL4160099

SCHEMBL4160099

c1ccc(-c2n[nH]cc2-c2ccc3ncnn3c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.49
MAPK14 Q16539 7/20 0.40
SCN5A Q14524 1/20 0.40
DYRK1A Q13627 1/20 0.39
TGFBR2 P37173 1/20 0.37

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
SCHEMBL5138651 0.82 TGFBR1 (0.67) TGFBR1MAPK14
SCHEMBL18030718 0.82 TGFBR1 (0.56) TGFBR1SCN5ADYRK1ATGFBR2
SCHEMBL5139070 0.82 PIM1 (0.35) TGFBR1
SCHEMBL5138722 0.80 TGFBR1 (0.43) TGFBR1DYRK1ATGFBR2
SCHEMBL4896435 0.80 TGFBR1 (0.46) TGFBR1MAPK14DYRK1A
SCHEMBL5138253 0.80 TGFBR1 (0.48) TGFBR1MAPK14
SCHEMBL5138589 0.80 TGFBR1 (0.47) TGFBR1MAPK14SCN5A
SCHEMBL4902990 0.78 SCN5A (0.43) TGFBR1MAPK14SCN5ADYRK1A
SCHEMBL3855569 0.77 TGFBR1 (0.50) TGFBR1TGFBR2
SCHEMBL5188422 0.77 LRRK2 (0.37) 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 11 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
WO-2009009059-A1 SPIRO COMPOUNDS AS ANTAGONISTS OF TGF-BETA BIOGEN IDEC MA INC. (US) 2009-01-15 WO disclosed
WO-2008013928-A2 TREATMENT OF CANCER WITH INTERFERON GENE DELIVERY IN COMBINATION WITH A TGF-BETA INHIBITOR BIOGEN IDEC MA INC. (US) 2008-01-31 WO disclosed
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 26/4885MAPK14 1842/4885SCN5A 404/4885

“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.