SCHEMBL1778237

SCHEMBL1778237

COC(=O)c1ccc2c(c1)c(-c1cc3c(C#N)ccnc3[nH]1)cn2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.47
LCK P06239 4/20 0.47
GSK3A P49840 4/20 0.47
GSK3B P49841 4/20 0.47
CDK7 P50613 4/20 0.47
AURKB Q96GD4 4/20 0.47
JAK2 O60674 3/20 0.47
LRRK2 Q5S007 3/20 0.47
BTK Q06187 1/20 0.47
SYK P43405 1/20 0.47
TBK1 Q9UHD2 5/20 0.44
CDK9 P50750 5/20 0.43
PIM1 P11309 4/20 0.43
MAPK8 P45983 4/20 0.43
AURKA O14965 3/20 0.43
PAK4 O96013 3/20 0.43
ABL1 P00519 3/20 0.43
NTRK1 P04629 3/20 0.43
FYN P06241 3/20 0.43
CSF1R P07333 3/20 0.43

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
SCHEMBL1777345 0.90 SYK (0.48) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL12605974 0.85 IGF1R (0.49) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1778843 0.84 IGF1R (0.67) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1781055 0.83 SYK (0.52) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1780131 0.83 SYK (0.70) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL3104144 0.82 GSK3B (0.69) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1748948 0.81 IGF1R (0.64) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL27613610 0.80 SYK (0.69) IGF1RLCKGSK3AGSK3BCDK7
SCHEMBL1779044 0.77 IGF1R (0.54) IGF1RLCKGSK3AGSK3BCDK7
Pyridine SCHEMBL5822323 0.76 IGF1R (0.60) IGF1RLCKGSK3AGSK3BCDK7

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 5 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

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 IGF1R 1245/4885LCK 66/4885GSK3A 176/4885

“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.