SCHEMBL1777441

SCHEMBL1777441

COc1ccc2c(c1)c(-c1cc3c(C(=O)O)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.42
EED O75530 1/20 0.39
HTR6 P50406 4/20 0.39
JAK2 O60674 1/20 0.39
LCK P06239 1/20 0.39
IGF1R P08069 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK7 P50613 1/20 0.39
BTK Q06187 1/20 0.39
LRRK2 Q5S007 1/20 0.39
AURKB Q96GD4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
PSEN1 P49768 1/20 0.37

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
SCHEMBL1777155 0.88 JAK2 (0.43) PTGDR2EEDHTR6JAK2LCK
SCHEMBL1778388 0.87 JAK2 (0.41) PTGDR2EEDHTR6JAK2LCK
SCHEMBL1778063 0.86 JAK2 (0.41) PTGDR2EEDHTR6JAK2LCK
SCHEMBL1779126 0.84 HTR6 (0.40) PTGDR2EEDHTR6JAK2LCK
SCHEMBL1778448 0.84 MAPT (0.46) LMNAPTGDR2HTR6MEN1KMT2A
SCHEMBL1778265 0.83 JAK2 (0.41) PTGDR2EEDHTR6JAK2LCK
SCHEMBL14427724 0.83 EED (0.39) LMNAPTGDR2EEDHTR6JAK2
SCHEMBL2760600 0.83 PTGDR2 (0.38) LMNAPTGDR2MEN1KMT2A
SCHEMBL1779630 0.82 HTR6 (0.44) PTGDR2EEDHTR6JAK2LCK
SCHEMBL5408823 0.82 HTR6 (0.41) EEDHTR6JAK2LCKIGF1R

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
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 LMNA 3913/4885PTGDR2 803/4885EED 2790/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 LMNA 3686/4885PTGDR2 1583/4885EED 4665/4885

“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.