SCHEMBL5138698

SCHEMBL5138698

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.49
DYRK1A Q13627 2/20 0.42
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
ATM Q13315 1/20 0.39
SYK P43405 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
TGFBR1 P36897 2/20 0.39
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL5138504 0.86 DYRK1A (0.46) DYRK1AATMTGFBR1MAP4K4ALDH1A1
SCHEMBL27628470 0.84 CHEK2 (0.41) DYRK1ATGFBR1MAP4K4
SCHEMBL5139502 0.80 MAP4K4 (0.42) DYRK1AATMTGFBR1MAP4K4ALDH1A1
SCHEMBL5138429 0.76 MEN1 (0.50) DYRK1ATGFBR1ALDH1A1HPGDKDM4E
SCHEMBL5138195 0.76 MAP4K4 (0.52) TGFBR1MAP4K4
Gw679410X SCHEMBL376414 0.76 TGFBR1 (0.63) DYRK1ATGFBR1
SCHEMBL27648467 0.76 TGFBR1 (0.48) DYRK1AGABRG2GABRB3GABRA3SYK
SCHEMBL5138085 0.74 TGFBR1 (0.40) DYRK1ASYKAURKBTGFBR1MAP4K4
SCHEMBL5139169 0.74 DYRK1A (0.44) DYRK1AATMALDH1A1CYP1A2CYP3A4
SCHEMBL3850901 0.72 DYRK1A (0.41) DYRK1ATGFBR1MAP4K4ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 PDE10A 2315/4885DYRK1A 2991/4885GABRG2 2919/4885

“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.