SCHEMBL1778221

SCHEMBL1778221

c1cnc2[nH]c(-c3ccc(N4CCNCC4)cc3)cc2n1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.65
CDC7 O00311 2/20 0.65
CDK9 P50750 2/20 0.65
CCNB2 O95067 13/20 0.56
CDK1 P06493 13/20 0.56
CCNB1 P14635 13/20 0.56
CCNB3 Q8WWL7 13/20 0.56
GSK3B P49841 11/20 0.56
GSK3A P49840 9/20 0.56
CDK5 Q00535 8/20 0.56
CDK5R1 Q15078 8/20 0.56
TBK1 Q9UHD2 2/20 0.46
TGFBR1 P36897 1/20 0.46
ACVR1 Q04771 1/20 0.46
ADRB2 P07550 1/20 0.45
NCF1 P14598 1/20 0.45
PLD1 Q13393 1/20 0.45
PIM3 Q86V86 1/20 0.45
PIM2 Q9P1W9 1/20 0.45

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
SCHEMBL1778600 0.89 CCNB2 (0.59) PIM1CDC7CDK9CCNB2CDK1
SCHEMBL13503103 0.86 CCNB2 (0.61) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1780576 0.81 CCNB2 (0.53) PIM1CDC7CDK9CCNB2CDK1
SCHEMBL13503101 0.81 PIM1 (0.50) PIM1CDC7CDK9TBK1TGFBR1
SCHEMBL1780492 0.80 CCNB2 (0.54) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL11358375 0.72 MEN1 (0.65) PIM1ADRB2NCF1PLD1
SCHEMBL491112 0.72 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL29913067 0.72 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL491029 0.72 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1780925 0.72 CCNB2 (0.70) CCNB2CDK1CCNB1CCNB3GSK3B

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
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
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP claimed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO 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
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 PIM1 777/4885CDC7 138/4885CDK9 17/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 PIM1 479/4885CDC7 396/4885CDK9 72/4885

“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.