SCHEMBL1622351

SCHEMBL1622351

COc1ccc2nc(-c3n[nH]c4c3sc3ccccc34)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
HPGD P15428 4/20 0.52
RAB9A P51151 4/20 0.52
TP53 P04637 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 3/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PDPK1 O15530 2/20 0.49
RUNX1 Q01196 1/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HCRTR1 O43613 1/20 0.46
AURKA O14965 2/20 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
SCHEMBL5960450 0.83 FGFR1 (0.59) NPC1HPGDRAB9ATP53SMN1; SMN2
SCHEMBL3538044 0.79 ITK (0.67) NPC1HPGDRAB9ATP53SMN1; SMN2
SCHEMBL1623412 0.79 FGFR1 (0.71) KDRFGFR1FLT1CHEK2ABL1
Hydrochloric Acid SCHEMBL1622912 0.78 FGFR1 (0.70) KDRFGFR1FLT1CHEK2ABL1
SCHEMBL7698784 0.77 ALDH1A1 (0.46) NPC1HPGDRAB9ATP53SMN1; SMN2
SCHEMBL1622615 0.75 NPC1 (0.52) NPC1HPGDRAB9ATP53SMN1; SMN2
SCHEMBL3542538 0.72 FGFR1 (0.66) NPC1HPGDRAB9ATP53SMN1; SMN2
SCHEMBL1623062 0.72 FGFR1 (0.61) FGFR1FLT1CHEK2
Hydrochloric Acid SCHEMBL1622880 0.71 FGFR1 (0.60) FGFR1FLT1CHEK2
SCHEMBL3125413 0.71 NPC1 (0.75) NPC1HPGDRAB9ATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US claimed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US claimed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US claimed
JP-2007505038-A 2007-03-08 JP claimed
EP-1682553-A1 THIENOPYRAZOLES Aventis Pharmaceuticals Inc. (US) 2006-07-26 EP claimed
WO-2005026175-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2005-03-24 WO claimed
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US 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 (2 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-20100056514-A1 THIENOPYRAZOLES ITK, IL2, TYK2 NPC1 4488/4885HPGD 445/4885RAB9A 3618/4885
US-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 NPC1 4164/4885HPGD 294/4885RAB9A 3718/4885

“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.