SCHEMBL1779828

SCHEMBL1779828

Cc1noc(C)c1-c1ccnc2[nH]c(-c3c[nH]c4ccc(C(=O)O)cc34)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.41
TBK1 Q9UHD2 1/20 0.40
BRD2 P25440 2/20 0.39
P2RY14 Q15391 1/20 0.39
BTK Q06187 2/20 0.38
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1A Q13627 1/20 0.37
CREBBP Q92793 1/20 0.37
CHUK O15111 1/20 0.36
INSR P06213 1/20 0.36
MAPK8 P45983 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
PTPN1 P18031 1/20 0.36
CCNT1 O60563 1/20 0.36

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
SCHEMBL12605852 0.86 MAPT (0.42) BRD4TBK1BRD2USP2CYP1A2
SCHEMBL6359375 0.84 CAMKK2 (0.38) CYP3A4CYP2D6DYRK1ACHUKINSR
SCHEMBL1780377 0.83 USP2 (0.51) BRD4TBK1BRD2BTKUSP2
SCHEMBL1777873 0.82 SYK (0.44) BRD4TBK1BRD2P2RY14BTK
SCHEMBL1780378 0.74 P2RY14 (0.37) BRD4BRD2P2RY14BTKCYP3A4
SCHEMBL1777558 0.73 RIPK1 (0.50) CAMKK2PTPN1
SCHEMBL12605855 0.69 SYK (0.45) BRD4TBK1BRD2BTKCYP1A2
SCHEMBL1777482 0.68 LMNA (0.52) CLK4DYRK1A
SCHEMBL2772077 0.66 BRD4 (0.51) BRD4BRD2P2RY14CREBBP
SCHEMBL5430922 0.66 CAMKK2 (0.67) TBK1CLK4DYRK1ACAMKK2PTPN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BRD4 1593/4885TBK1 2449/4885BRD2 1070/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 BRD4 2715/4885TBK1 146/4885BRD2 3393/4885

“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.