SCHEMBL1780760

SCHEMBL1780760

CNC(=O)c1cnc2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.61
HDAC6 Q9UBN7 1/20 0.59
KIT P10721 8/20 0.54
BAZ2B Q9UIF8 1/20 0.52
BRD4 O60885 1/20 0.48
CDK8 P49336 1/20 0.47
PSMD14 O00487 1/20 0.47
STAMBP O95630 1/20 0.47
COPS5 Q92905 1/20 0.47
ULK1 O75385 1/20 0.47
HPGDS O60760 1/20 0.46
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45

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
SCHEMBL2060048 0.86 HDAC6 (0.54) RIPK1HDAC6KITBRD4ULK1
SCHEMBL1778117 0.84 HDAC6 (0.53) RIPK1HDAC6KITBRD4CDK8
SCHEMBL2060098 0.79 KIT (0.54) HDAC6KIT
SCHEMBL15824579 0.79 KIT (0.52) RIPK1HDAC6KITBRD4ULK1
SCHEMBL15824673 0.79 KIT (0.65) HDAC6KITHPGDS
SCHEMBL2060132 0.78 RAB9A (0.59) HDAC6KIT
SCHEMBL15824064 0.78 KIT (0.66) RIPK1HDAC6KIT
SCHEMBL15823383 0.77 KIT (0.50) RIPK1HDAC6KIT
SCHEMBL29914066 0.77 KIT (0.50) RIPK1HDAC6KIT
SCHEMBL18918796 0.75 KIT (0.51) RIPK1HDAC6KITBRD4ULK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 EP disclosed
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US disclosed
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 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 (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-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 RIPK1 278/4885HDAC6 979/4885KIT 1019/4885

“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.