SCHEMBL5200922

SCHEMBL5200922

c1ccc(-c2n[nH]cc2-c2ccc3nsnc3c2)nc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.47
PTPN11 Q06124 2/20 0.38
LRRK2 Q5S007 1/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
PIM1 P11309 3/20 0.35
TGFBR1 P36897 8/20 0.34
MAPK14 Q16539 3/20 0.34
CHEK2 O96017 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL5138443 0.85 TGFBR1 (0.46) LRRK2KDM4ENPC1PIK3CDPIK3CA
SCHEMBL5138585 0.82 TDO2 (0.47) TDO2PTPN11LRRK2KDM4ENPC1
SCHEMBL5138250 0.81 NPC1 (0.51) KDM4ENPC1TGFBR1MAPK14
SCHEMBL38654260 0.80 RIPK1 (0.44) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL5137972 0.80 RIPK1 (0.44) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL5201166 0.80 TGFBR1 (0.48) TDO2TGFBR1MAPK14
SCHEMBL5139212 0.78 DYRK1A (0.40) LRRK2KDM4ENPC1PIK3CDPIM1
SCHEMBL5697021 0.78 DYRK1A (0.40) LRRK2KDM4ENPC1PIK3CDPIK3CA
SCHEMBL27628474 0.77 TGFBR1 (0.49) LRRK2KDM4ENPC1PIM1TGFBR1
SCHEMBL5200914 0.77 TGFBR1 (0.36) LRRK2PIM1TGFBR1PIM2

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 7 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

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 TDO2 2660/4885PTPN11 1684/4885LRRK2 3140/4885

“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.