SCHEMBL1781850

SCHEMBL1781850

COc1ccc2c(c1)cc(-c1cc3cccnc3[nH]1)n2Cc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.51
CCNB2 O95067 1/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
PLA2G2A P14555 2/20 0.44
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
IGF1R P08069 1/20 0.41
HRH1 P35367 1/20 0.41
HTR6 P50406 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 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
SCHEMBL1778606 0.86 RIPK1 (0.51) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1778908 0.85 RIPK1 (0.50) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1778453 0.82 RIPK1 (0.45) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1777443 0.81 RIPK1 (0.46) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1777680 0.81 RIPK1 (0.60) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1777852 0.80 RIPK1 (0.49) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1782184 0.80 CCNB2 (0.44) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1779535 0.78 RIPK1 (0.44) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL16818940 0.77 PLA2G2A (0.54) GRIN1GRIN2BPLA2G2AGRIK1GRIK2
SCHEMBL1779988 0.76 RIPK1 (0.44) RIPK1CCNB2CDK1CCNB1CCNB3

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
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 EP claimed
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

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 278/4885CCNB2 1015/4885CDK1 37/4885

“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.