SCHEMBL5138504

SCHEMBL5138504

COc1ccc(-c2ncnc3ccc(-c4c[nH]nc4-c4ccccn4)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.46
MAP4K4 O95819 3/20 0.43
TGFBR1 P36897 3/20 0.43
ATM Q13315 2/20 0.41
CCNT1 O60563 1/20 0.41
GSK3B P49841 1/20 0.41
CDK9 P50750 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
RUNX1 Q01196 1/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
MTOR P42345 2/20 0.39
PIK3CG P48736 2/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2D6 P10635 2/20 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
SCHEMBL5139502 0.86 MAP4K4 (0.42) DYRK1AMAP4K4TGFBR1ATMCCNT1
SCHEMBL5138698 0.86 PDE10A (0.49) DYRK1AMAP4K4TGFBR1ATMCCNT1
SCHEMBL3850901 0.84 DYRK1A (0.41) DYRK1AMAP4K4TGFBR1PIK3CDPIK3CA
Hydrochloric Acid SCHEMBL3853873 0.83 DYRK1A (0.40) DYRK1AMAP4K4TGFBR1PIK3CDPIK3CA
SCHEMBL5138429 0.82 MEN1 (0.50) DYRK1ATGFBR1NPC1RAB9ARUNX1
SCHEMBL5138195 0.81 MAP4K4 (0.52) MAP4K4TGFBR1
Gw679410X SCHEMBL376414 0.81 TGFBR1 (0.63) DYRK1ATGFBR1NPC1RAB9AHSP90AA1
SCHEMBL27648467 0.81 TGFBR1 (0.48) DYRK1ATGFBR1NPC1RAB9ARUNX1
SCHEMBL5138085 0.79 TGFBR1 (0.40) DYRK1AMAP4K4TGFBR1LMNACYP1A2
SCHEMBL3845792 0.77 PTGS1 (0.35) PKM

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 15 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
CN-1770980-A Pyrazoles and methods of making and using the same BIOGEN IDEC INC (US) 2006-05-10 CN 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-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
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 DYRK1A 2991/4885MAP4K4 907/4885TGFBR1 26/4885

“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.