SCHEMBL294128

SCHEMBL294128

COc1ccc(C(N)=O)c(Nc2ccccc2)c1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 18/20 0.78
AKR1C2 P52895 18/20 0.78
PDE4B Q07343 1/20 0.58

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
SCHEMBL293867 0.88 AKR1C3 (1.00) AKR1C3AKR1C2
SCHEMBL295164 0.87 AKR1C3 (0.81) AKR1C3AKR1C2
SCHEMBL846875 0.87 AKR1C3 (0.81) AKR1C3AKR1C2
SCHEMBL296153 0.84 AKR1C3 (0.76) AKR1C3AKR1C2
SCHEMBL6443532 0.82 MEN1 (0.72)
SCHEMBL28357281 0.81 SIRT2 (0.75) AKR1C3AKR1C2PDE4B
SCHEMBL1724047 0.81 KDM4E (0.56) AKR1C3AKR1C2PDE4B
SCHEMBL27952336 0.80 SIRT2 (0.54) AKR1C3AKR1C2
SCHEMBL9595058 0.80 AKR1C3 (1.00) AKR1C3AKR1C2
SCHEMBL4581492 0.80 HSP90AA1 (0.54) AKR1C3AKR1C2PDE4B

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
EP-1667685-B1 QUINAZOLINE POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-03-14 EP disclosed
US-7906521-B2 Quinazoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-15 US disclosed
EP-1667685-A4 QUINAZOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-04-29 EP disclosed
US-20070054894-A1 Quinazoline potassium channel inhibitors MERCK & CO., INC. (US) 2007-03-08 US disclosed
CN-1856310-A Quinazoline potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 CN disclosed
EP-1667685-A1 QUINAZOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030217-A1 QUINAZOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 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 (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-20070054894-A1 Quinazoline potassium channel inhibitors KCNJ2, KCNH2, KCNH3 AKR1C3 2614/4885AKR1C2 1933/4885PDE4B 1286/4885

“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.