SCHEMBL7916014

SCHEMBL7916014

COC(=O)Nc1nnc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2F)s1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
CFTR P13569 2/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GUSB P08236 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL3801916 0.93 CFTR (0.47) POLBCFTRMEN1KMT2AKDM4E
SCHEMBL4329674 0.92 CFTR (0.51) POLBCFTRMEN1KMT2AKDM4E
SCHEMBL3809587 0.90 MEN1 (0.47) POLBCFTRMAPTMEN1KMT2A
SCHEMBL13865488 0.89 ALDH1A1 (0.41) POLBCFTRMAPTMEN1KMT2A
SCHEMBL3470071 0.88 MEN1 (0.46) POLBCFTRMAPTMEN1KMT2A
SCHEMBL3470597 0.87 MEN1 (0.45) POLBCFTRMAPTMEN1KMT2A
SCHEMBL3469510 0.85 MEN1 (0.44) POLBCFTRMAPTMEN1KMT2A
SCHEMBL3471206 0.85 MEN1 (0.44) POLBCFTRMEN1KMT2AKDM4E
SCHEMBL3469322 0.84 MEN1 (0.44) POLBCFTRMEN1KMT2AKDM4E
SCHEMBL3469371 0.83 GAA (0.42) CFTRMEN1KMT2AKDM4EALDH1A1

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-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 US disclosed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 US disclosed
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 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 (3 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-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B POLB 3866/4885CFTR 2246/4885LMNA 3147/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B POLB 3866/4885CFTR 2246/4885LMNA 3147/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B POLB 3866/4885CFTR 2246/4885LMNA 3147/4885

“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.