SCHEMBL5137972

SCHEMBL5137972

c1ccc(-c2n[nH]cc2-c2ccc3ncsc3c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.44
SYK P43405 1/20 0.44
MAPK14 Q16539 1/20 0.41
DYRK1A Q13627 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
TGFBR1 P36897 6/20 0.39
IKBKB O14920 3/20 0.38
PIM1 P11309 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BMPR1A P36894 1/20 0.36
SMAD2 Q15796 1/20 0.36
ADORA2A P29274 1/20 0.36
PFKFB3 Q16875 2/20 0.35

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
SCHEMBL38654260 1.00 RIPK1 (0.44) RIPK1SYKMAPK14DYRK1APIK3CD
SCHEMBL38654884 0.82 TGFBR1 (0.56) RIPK1MAPK14DYRK1ATGFBR1BMPR1A
SCHEMBL5138443 0.81 TGFBR1 (0.46) MAPK14PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL5200922 0.80 TDO2 (0.47) MAPK14PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL5138250 0.79 NPC1 (0.51) MAPK14DYRK1ATGFBR1ALDH1A1HSD17B10
SCHEMBL5138585 0.78 TDO2 (0.47) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL5697021 0.76 DYRK1A (0.40) DYRK1APIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL27628474 0.75 TGFBR1 (0.49) TGFBR1PIM1
SCHEMBL5985411 0.75 TDO2 (0.52) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL5139747 0.75 TGFBR1 (0.40) MAPK14DYRK1APIK3CDPIK3CAPI4KA

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
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
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 RIPK1 438/4885SYK 943/4885MAPK14 1842/4885

“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.