SCHEMBL4896435

SCHEMBL4896435

Cc1nccc(-c2n[nH]cc2-c2ccc3ncnn3c2)n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.46
DYRK1A Q13627 1/20 0.40
MAPK14 Q16539 3/20 0.39

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 0.84 TGFBR1 (0.67) TGFBR1MAPK14
SCHEMBL4902990 0.84 SCN5A (0.43) TGFBR1DYRK1AMAPK14
SCHEMBL4011848 0.82 TGFBR1 (0.55) TGFBR1MAPK14
SCHEMBL4160099 0.80 TGFBR1 (0.49) TGFBR1DYRK1AMAPK14
SCHEMBL5138589 0.77 TGFBR1 (0.47) TGFBR1MAPK14
SCHEMBL5138253 0.77 TGFBR1 (0.48) TGFBR1MAPK14
SCHEMBL4899604 0.72 TGFBR1 (0.46) TGFBR1DYRK1AMAPK14
SCHEMBL5138722 0.70 TGFBR1 (0.43) TGFBR1DYRK1A
SCHEMBL3247680 0.69 TGFBR1 (0.55) TGFBR1MAPK14
SCHEMBL4898477 0.69 KDM4E (0.67) DYRK1A

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
US-20080171755-A1 Pyrimidinylpyrazoles as Tgf-Beta Inhibitors LEE WEN-CHERNG 2008-07-17 US claimed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 EP claimed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
EP-1786803-A1 PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-23 EP claimed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 WO claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed
WO-2006026305-A1 PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS BIOGEN IDEC MA INC (US) 2006-03-09 WO claimed
US-20080171755-A1 Pyrimidinylpyrazoles as Tgf-Beta Inhibitors LEE WEN-CHERNG 2008-07-17 US 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
EP-1786803-A1 PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-23 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO disclosed
WO-2006026305-A1 PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS BIOGEN IDEC MA INC (US) 2006-03-09 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-20080171755-A1 Pyrimidinylpyrazoles as Tgf-Beta Inhibitors TGFBR1, SMAD3, ALK TGFBR1 1/4885DYRK1A 3927/4885MAPK14 843/4885

“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.