SCHEMBL1777700

SCHEMBL1777700

COc1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2CC(=O)Nc1cccc2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
LMNA P02545 3/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
IGF1R P08069 2/20 0.47
TP53 P04637 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 1/20 0.45
MECP2 P51608 1/20 0.45
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SYK P43405 1/20 0.43
JAK2 O60674 1/20 0.43
LCK P06239 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CDK7 P50613 1/20 0.43
BTK Q06187 1/20 0.43

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
SCHEMBL1778899 0.90 TRPV1 (0.45) MAPTLMNAIGF1RTP53SMN1; SMN2
SCHEMBL1778013 0.88 MAPT (0.53) MAPTKMT2AMEN1IGF1RTP53
SCHEMBL1777665 0.85 IGF1R (0.53) IGF1RSYKJAK2LCKGSK3A
SCHEMBL1778454 0.85 PDE4B (0.45) MAPTLMNAKMT2AMEN1IGF1R
SCHEMBL13157725 0.85 IGF1R (0.41) MAPTLMNAHPGDTSHRKMT2A
SCHEMBL1778977 0.85 IGF1R (0.48) MAPTIGF1RTP53SMN1; SMN2SYK
SCHEMBL1778068 0.85 IGF1R (0.48) KMT2AMEN1IGF1RSYKJAK2
SCHEMBL1777840 0.85 IGF1R (0.46) MAPTLMNAKMT2AMEN1IGF1R
SCHEMBL1779225 0.84 IGF1R (0.52) IGF1RSYKJAK2LCKGSK3A
SCHEMBL12606272 0.84 IGF1R (0.48) MAPTIGF1RTP53SMN1; SMN2SYK

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 MAPT 3999/4885LMNA 3913/4885HPGD 1109/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 MAPT 911/4885LMNA 3686/4885HPGD 1631/4885

“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.