SCHEMBL5137782

SCHEMBL5137782

c1ccc(-c2n[nH]cc2-c2ccc3ncnc(N4CCOCC4)c3c2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 13/20 0.59
CYP2C19 P33261 10/20 0.59
HIF1A Q16665 10/20 0.59
ALDH1A1 P00352 10/20 0.59
MAPK1 P28482 9/20 0.59
TSHR P16473 8/20 0.59
CYP3A4 P08684 15/20 0.59
CYP1A2 P05177 14/20 0.59
LMNA P02545 12/20 0.59
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
TP53 P04637 2/20 0.59
HSD17B10 Q99714 4/20 0.56
ALOX15 P16050 1/20 0.56
CYP2D6 P10635 5/20 0.54
USP2 O75604 5/20 0.52
PTK2 Q05397 1/20 0.49
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL27648471 0.92 CLK4 (0.52) CLK4CYP2C19HIF1AALDH1A1MAPK1
SCHEMBL5186730 0.84 MAPK1 (0.55) CLK4CYP2C19HIF1AALDH1A1MAPK1
SCHEMBL6181678 0.79 TGFBR1 (0.48) ALDH1A1MAPK1CYP1A2KDM4EHPGD
SCHEMBL5138195 0.78 MAP4K4 (0.52)
SCHEMBL5139502 0.77 MAP4K4 (0.42) CLK4CYP2C19HIF1AALDH1A1MAPK1
SCHEMBL3845114 0.77 CYP3A4 (0.52) CLK4CYP2C19HIF1AALDH1A1MAPK1
SCHEMBL5930851 0.76 CLK4 (0.54) CLK4CYP2C19HIF1AALDH1A1MAPK1
SCHEMBL30734213 0.74 ACHE (0.57) CLK4CYP2C19HIF1AALDH1A1MAPK1
SCHEMBL3850901 0.74 DYRK1A (0.41) CYP2C19ALDH1A1MAPK1TSHRCYP3A4
SCHEMBL5138085 0.74 TGFBR1 (0.40) CYP2C19ALDH1A1MAPK1TSHRCYP3A4

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-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
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 CLK4 3573/4885CYP2C19 1377/4885HIF1A 1031/4885

“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.