SCHEMBL1777550

SCHEMBL1777550

Cc1ccc(-c2[nH]c3ncccc3c2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.48
▸ MAPK12 P53778 1/20 0.48
▸ MAPK11 Q15759 1/20 0.48
▸ MAPK14 Q16539 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CCNB2 O95067 5/20 0.46
▸ CDK1 P06493 5/20 0.46
▸ CCNB1 P14635 5/20 0.46
▸ GSK3A P49840 5/20 0.46
▸ GSK3B P49841 5/20 0.46
▸ CDK5 Q00535 5/20 0.46
▸ CDK5R1 Q15078 5/20 0.46
▸ CCNB3 Q8WWL7 5/20 0.46
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ COMT P21964 1/20 0.42
▸ AURKA O14965 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL1777876 0.88 CYP11B1 (0.55) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL1778974 0.87 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL1778294 0.84 CCNB2 (0.65) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL1777731 0.82 CAMKK2 (0.56) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL8321698 0.81 AURKA (0.44) MAPK13MAPK12MAPK11MAPK14CCNB2
SCHEMBL23259087 0.80 CCNB2 (0.47) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL1779068 0.80 MAP2K1 (0.50) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL1779847 0.76 PDCD1 (0.48) ALDH1A1CCNB2CDK1CCNB1GSK3A
SCHEMBL21115235 0.75 AURKA (0.46) MAPK13MAPK12MAPK11MAPK14ALDH1A1
Hydrochloric Acid SCHEMBL30669792 0.75 MAPT (0.58) CYP11B1CYP11B2AURKAMAPT

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 — — EP claimed
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 — — US claimed
US-20040198737-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-10-07 — — US claimed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 — — US claimed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 — — EP claimed
US-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 — — US claimed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 — — WO claimed
EP-1263759-A2 AZAINDOLES Aventis Pharma Limited (GB) 2002-12-11 — — EP claimed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 — — WO claimed
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-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 — — EP disclosed
US-7227020-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2007-06-05 — — US disclosed
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 — — US disclosed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 — — WO disclosed
EP-0509974-B1 Pyrrolo[2,3-b]pyridines having therapeutic activity and a process for the preparation thereof ASTRA AB (SE) 1999-01-13 — — EP disclosed
US-5439917-A Phenyl-pyrrolo(2,3-b)pyridine antisecretory agent of gastric acid; adenosine triphosphatase enzyme inhibitor AKTIEBOLAGET ASTRA (SE) 1995-08-08 — — US disclosed
EP-0580616-A1 NEW ACTIVE COMPOUNDS Astra Aktiebolag (SE) 1994-02-02 — — EP disclosed
EP-0509974-A1 Pyrrolo[2,3-b]pyridines having therapeutic activity and a process for the preparation thereof Astra Aktiebolag (SE) 1992-10-21 — — EP disclosed
WO-1992017477-A1 NEW ACTIVE COMPOUNDS AKTIEBOLAGET ASTRA (SE) 1992-10-15 — — 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 (4 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-20040198737-A1 Azaindoles CCNY, CCNO, CNKSR1 MAPK13 239/4885MAPK12 704/4885MAPK11 346/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 MAPK13 111/4885MAPK12 176/4885MAPK11 133/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 MAPK13 484/4885MAPK12 1099/4885MAPK11 698/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 MAPK13 31/4885MAPK12 19/4885MAPK11 165/4885

“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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