SCHEMBL1779702

SCHEMBL1779702

COc1ccc2[nH]cc(-c3cc4c(Cl)ccnc4[nH]3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.52
CCNT1 O60563 2/20 0.45
CDK9 P50750 2/20 0.45
DYRK1A Q13627 3/20 0.45
GSK3B P49841 3/20 0.45
CLK4 Q9HAZ1 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
MAPK1 P28482 3/20 0.44
USP2 O75604 2/20 0.44
LMNA P02545 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
PDE4B Q07343 1/20 0.44
CLK1 P49759 1/20 0.44
CLK2 P49760 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
SCHEMBL1779530 0.87 MAP3K14 (0.53) MAP3K14CCNT1CDK9DYRK1AGSK3B
SCHEMBL1776942 0.83 MAP3K14 (0.49) MAP3K14CDK9DYRK1AGSK3BCLK4
SCHEMBL1777482 0.82 LMNA (0.52) MAP3K14DYRK1AGSK3BCLK4LMNA
SCHEMBL1777707 0.82 GSK3B (0.61) MAP3K14DYRK1AGSK3BCLK4CYP1A2
SCHEMBL1777004 0.81 KDM4E (0.53) MAP3K14DYRK1AGSK3BCLK4LMNA
SCHEMBL1777605 0.81 NR4A2 (0.47) MAP3K14CCNT1CDK9DYRK1AGSK3B
Potassium Ion SCHEMBL1779429 0.81 NR4A2 (0.47) MAP3K14DYRK1AGSK3BCLK4CYP1A2
SCHEMBL5406265 0.80 MAP3K14 (0.50) MAP3K14DYRK1AGSK3BCLK4CYP1A2
SCHEMBL13157658 0.80 NR4A2 (0.46) MAP3K14DYRK1AGSK3BCLK4CYP1A2
SCHEMBL1778147 0.78 NR4A2 (0.47) MAP3K14DYRK1AGSK3BCLK4CYP1A2

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 14 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
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 MAP3K14 55/4885CCNT1 226/4885CDK9 17/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 MAP3K14 14/4885CCNT1 889/4885CDK9 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.