SCHEMBL2700566

SCHEMBL2700566

CCN(C(=O)CC(F)(F)F)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.43
POLQ O75417 1/20 0.43
THRB P10828 2/20 0.42
TRPM8 Q7Z2W7 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.41
OPRM1 P35372 3/20 0.40
TP53 P04637 2/20 0.40

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
SCHEMBL666126 0.83 OPRM1 (0.53) POLBMEN1KMT2AGAASMN1; SMN2
SCHEMBL19187466 0.82 POLQ (0.56) POLBMEN1KMT2AGAASMN1; SMN2
SCHEMBL6028292 0.82 POLB (0.42) POLBMEN1KMT2AGAASMN1; SMN2
SCHEMBL23355845 0.81 MEN1 (0.51) POLBMEN1KMT2AGAASMN1; SMN2
SCHEMBL5141980 0.81 MEN1 (0.51) POLBMEN1KMT2AGAASMN1; SMN2
SCHEMBL4162403 0.80 MEN1 (0.50) POLBMEN1KMT2AGAASMN1; SMN2
SCHEMBL2558035 0.80 MEN1 (0.50) POLBMEN1KMT2AGAASMN1; SMN2
SCHEMBL5508940 0.79 POLB (0.60) POLBMEN1KMT2AGAASMN1; SMN2
SCHEMBL2562392 0.78 POLB (0.51) POLBMEN1KMT2AGAASMN1; SMN2
SCHEMBL4036418 0.78 GAA (0.54) POLBMEN1KMT2AGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 US disclosed
US-20100286202-A1 New Compounds ASTRAZENECA AB (SE) 2010-11-11 US disclosed
US-7618993-B2 Compounds ASTRAZENECA AB (SE) 2009-11-17 US disclosed
US-20080171770-A1 Compounds ASTRAZENECA AB (SE) 2008-07-17 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 (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-20100286202-A1 New Compounds REN, PCSK9, FURIN POLB 2337/4885MEN1 660/4885KMT2A 4014/4885
US-20080171770-A1 Compounds REN, PCSK9, SLC10A1 POLB 2234/4885MEN1 544/4885KMT2A 4011/4885

“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.