SCHEMBL2886889

SCHEMBL2886889

COc1ccc(-c2n[nH]c(=O)c3ccccc23)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.60
PDE4B Q07343 1/20 0.60
PDE4C Q08493 1/20 0.60
PDE4D Q08499 1/20 0.60
MAPK1 P28482 2/20 0.56
ATM Q13315 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 1/20 0.50
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
PDE2A O00408 1/20 0.46
ROCK1 Q13464 8/20 0.46

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
SCHEMBL710318 0.79 ATM (0.67) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL30719652 0.79 ATM (0.67) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL13721580 0.78 ATM (0.60) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL13720951 0.77 NCOA1 (0.56) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL6477699 0.75 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL13721774 0.74 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL1786578 0.73 ATM (0.73) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL23496959 0.72 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL2879799 0.72 L3MBTL1 (0.41) NPSR1LMNAALDH1A1MAPTHPGD
SCHEMBL30719646 0.72 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DMAPK1

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-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 US disclosed
WO-2012158399-A1 CONDENSED 2 - CARBAMOYLPYRIDAZINONES AS POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-22 WO disclosed
US-20120289500-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-15 US disclosed
US-7645756-B2 6-[4-(3-piperidin-1-ylpropoxy)-phenyl]-[1,2,4]triazolo[4,3-b]pyridazine; has histamine-H3 receptor antagonistic effect or a histamine-H3 receptor inverse-agonistic effect; for metabolic system, circulatory system or nervous system diseases BANYU PHARMACEUTICAL CO. LTD. (JP) 2010-01-12 US disclosed
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative MSD K.K. (JP) 2007-07-19 US disclosed
EP-1719756-A1 NITROGENOUS FUSED HETEROAROMATIC RING DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP 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-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative HRH3, HRH2, HRH4 PDE4A 4780/4885PDE4B 4859/4885PDE4C 4881/4885
US-20120289500-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 PDE4A 1339/4885PDE4B 1453/4885PDE4C 1697/4885

“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.