SCHEMBL1778666

SCHEMBL1778666

Cn1cc(-c2ccccc2)c(-c2cc3cccnc3[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 17/20 0.55
▸ IGF1R P08069 1/20 0.51
▸ CCNB2 O95067 1/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ CCNB1 P14635 1/20 0.49
▸ CCNB3 Q8WWL7 1/20 0.49
▸ RET P07949 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ SYK P43405 1/20 0.44

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
SCHEMBL1779111 0.82 GSK3B (0.63) IGF1RCCNB2CDK1CCNB1CCNB3
SCHEMBL1778505 0.79 RIPK1 (0.74) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL31160487 0.78 RIPK1 (0.55) RIPK1IGF1RCCNB2CDK1CCNB1
SCHEMBL28277239 0.74 RIPK1 (0.68) RIPK1IGF1RCCNB2CDK1CCNB1
SCHEMBL31308619 0.73 RIPK1 (0.51) RIPK1IGF1RCCNB2CDK1CCNB1
SCHEMBL5907927 0.73 RIPK1 (0.58) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL5907807 0.73 RIPK1 (0.51) RIPK1IGF1RCCNB2CDK1CCNB1
Hydrochloric Acid SCHEMBL30669787 0.71 CLK2 (0.64) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL2997190 0.71 RIPK1 (1.00) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL31064965 0.71 RIPK1 (1.00) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 — — US claimed
CN-1665809-A Azaindoles AVENTIS PHARMA LTD (GB) 2005-09-07 — — CN claimed
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 — — US claimed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 — — US 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
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
CN-100509811-C Azaindoles AVENTIS PHARMA LTD (GB) 2009-07-08 — — CN disclosed
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 — — US disclosed
CN-1665809-A Azaindoles AVENTIS PHARMA LTD (GB) 2005-09-07 — — CN 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
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 — — EP disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 — — WO 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 RIPK1 1614/4885IGF1R 1574/4885CCNB2 381/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 RIPK1 278/4885IGF1R 1245/4885CCNB2 1015/4885

“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.

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