SCHEMBL1778458

SCHEMBL1778458

O=C(O)CCn1c(-c2cc3cccnc3[nH]2)cc2cc(OCC(=O)O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PTPN7 P35236 1/20 0.42
RIPK1 Q13546 10/20 0.41
PDE2A O00408 3/20 0.41
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
P2RY12 Q9H244 2/20 0.41
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
ITGB5 P18084 1/20 0.39

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
SCHEMBL1777564 0.93 RIPK1 (0.41) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL1777852 0.90 RIPK1 (0.49) MEN1KMT2AALDH1A1RIPK1CCNE1
SCHEMBL1777215 0.90 LMNA (0.42) MEN1KMT2AALDH1A1RIPK1CCNE1
SCHEMBL2760576 0.89 ALDH1A1 (0.37) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL1779791 0.89 ALDH1A1 (0.37) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL1778126 0.87 RIPK1 (0.47) KDM4EALDH1A1RIPK1PDE2APDE3B
SCHEMBL1777903 0.87 CCNE1 (0.36) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL1776800 0.87 KDM4E (0.54) KDM4EMEN1KMT2ATDP1PTPN7
SCHEMBL1777887 0.87 LMNA (0.42) MEN1KMT2ARIPK1PDE2APDE3B
SCHEMBL1779535 0.80 RIPK1 (0.44) MEN1KMT2AALDH1A1RIPK1CCNB2

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 KDM4E 1826/4885MEN1 3576/4885KMT2A 2412/4885

“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.