SCHEMBL1780131

SCHEMBL1780131

Cn1cc(-c2cc3c(C#N)ccnc3[nH]2)c2cc(C(=O)NC(C)(C)CO)ccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.70
IGF1R P08069 3/20 0.39
JAK2 O60674 2/20 0.39
LCK P06239 2/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
CDK7 P50613 2/20 0.39
AURKB Q96GD4 2/20 0.39
PIM1 P11309 2/20 0.39
CDK9 P50750 2/20 0.39
AURKA O14965 1/20 0.39
PAK4 O96013 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
FYN P06241 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39

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
SCHEMBL1777163 0.87 SYK (0.73) SYKIGF1RJAK2LCKGSK3A
SCHEMBL1781055 0.86 SYK (0.52) SYKIGF1RJAK2LCKGSK3A
SCHEMBL1777345 0.85 SYK (0.48) SYKIGF1RJAK2LCKGSK3A
SCHEMBL1777104 0.84 SYK (0.77) SYKIGF1RJAK2LCKGSK3A
SCHEMBL1778237 0.83 IGF1R (0.47) SYKIGF1RJAK2LCKGSK3A
SCHEMBL1777837 0.82 SYK (1.00) SYKIGF1RJAK2LCKGSK3A
SCHEMBL1777444 0.82 SYK (0.73) SYKIGF1RJAK2LCKGSK3A
SCHEMBL14427661 0.80 SYK (0.66) SYKIGF1RJAK2LCKGSK3A
SCHEMBL2317259 0.80 SYK (0.68) SYKIGF1RJAK2LCKGSK3A
SCHEMBL5069861 0.78 SYK (0.66) SYKSCN5ASCN9ANPC1RAB9A

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 8 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
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
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 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-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 SYK 836/4885IGF1R 1574/4885JAK2 337/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 SYK 113/4885IGF1R 1245/4885JAK2 345/4885

“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.