SCHEMBL4974094

SCHEMBL4974094

COc1cc(NC(=O)Cn2cnc3cccc(CC#N)c32)cc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
POLB P06746 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 4/20 0.42
CDYL2 Q8N8U2 1/20 0.42
CDYL Q9Y232 1/20 0.42
CDY1; CDY1B Q9Y6F8 1/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4974540 0.89 LMNA (0.51) LMNAPOLBMEN1KMT2ATSHR
SCHEMBL4973461 0.88 LMNA (0.50) LMNAPOLBMEN1KMT2ATSHR
SCHEMBL4978847 0.88 LMNA (0.50) LMNAPOLBMEN1KMT2ATSHR
SCHEMBL4977001 0.86 LMNA (0.48) LMNAPOLBMEN1KMT2ATSHR
SCHEMBL3038752 0.86 POLB (0.46) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL4975792 0.85 POLB (0.54) LMNAPOLBMEN1KMT2ATSHR
SCHEMBL3045782 0.84 SMN1; SMN2 (0.51) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL3042993 0.83 POLB (0.48) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL3041004 0.83 MAPT (0.48) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL3035237 0.83 SMN1; SMN2 (0.52) LMNAPOLBMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US claimed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP claimed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 WO claimed
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US disclosed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP disclosed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 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-20080015222-A1 New Heterocyclic Amides AADAC, AVPR2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 LMNA 2368/4885POLB 2972/4885MEN1 1446/4885

“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.