SCHEMBL1778043

SCHEMBL1778043

COc1ccc2[nH]cc(-c3cc4c(-c5c(C)noc5C)ccnc4n3S(=O)(=O)c3ccc(C)cc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 5/20 0.42
CYP1A2 P05177 5/20 0.42
CYP3A4 P08684 5/20 0.42
CYP2D6 P10635 5/20 0.42
CYP2C19 P33261 5/20 0.42
CLK4 Q9HAZ1 5/20 0.42
CYP2C9 P11712 4/20 0.42
MAPT P10636 2/20 0.42
BRD4 O60885 5/20 0.40
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 2/20 0.40
BRD2 P25440 2/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
HIF1A Q16665 1/20 0.39
HTR6 P50406 2/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
GAA P10253 1/20 0.38
MAP3K14 Q99558 1/20 0.37

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
SCHEMBL1780378 0.87 P2RY14 (0.37) CYP3A4CYP2D6MAPTBRD4ALDH1A1
SCHEMBL1777861 0.86 MAPT (0.48) MAPTALDH1A1LMNAHTR6HTR1A
SCHEMBL1780223 0.85 BRD4 (0.41) CLK4BRD4HTR6KDM4E
SCHEMBL1779946 0.85 MAPT (0.46) MAPTALDH1A1HTR6HTR1AHTR7
SCHEMBL1777928 0.83 MAPT (0.48) MAPTLMNAHTR6HTR1AHTR7
SCHEMBL1778760 0.82 MAPT (0.43) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1778448 0.81 MAPT (0.46) CYP1A2CYP2C19CLK4CYP2C9MAPT
SCHEMBL1780273 0.81 MAPT (0.46) MAPTLMNAHTR6HTR1AHTR7
SCHEMBL1777936 0.81 MAPT (0.48) MAPTLMNATSHRHTR6HTR1A
SCHEMBL5403881 0.79 MAPT (0.48) MAPTALDH1A1LMNAHTR6HTR1A

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 7 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
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 USP2 2963/4885CYP1A2 131/4885CYP3A4 250/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 USP2 3216/4885CYP1A2 831/4885CYP3A4 1030/4885

“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.