SCHEMBL2986346

SCHEMBL2986346

Nc1cc(-c2ccccn2)ccc1C1=NNC(=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
PDE3B Q13370 12/20 0.40
PDE3A Q14432 12/20 0.40
PDE2A O00408 1/20 0.40
PDE4A P27815 7/20 0.40
PDE4B Q07343 7/20 0.40
PDE4C Q08493 7/20 0.40
PDE4D Q08499 7/20 0.40
KCNH2 Q12809 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
LMNA P02545 2/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
MAPT P10636 1/20 0.38
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL7273949 0.82 SMN1; SMN2 (0.66) SMN1; SMN2PDE3BPDE3APDE2APDE4A
SCHEMBL2986344 0.80 KCNH2 (0.52) SMN1; SMN2PDE3BPDE3APDE4APDE4B
SCHEMBL10911962 0.79 SMN1; SMN2 (0.53) SMN1; SMN2PDE3BPDE3APDE2APDE4A
SCHEMBL11568322 0.78 SMN1; SMN2 (0.59) SMN1; SMN2PDE3BPDE3APDE2APDE4A
SCHEMBL9184755 0.71 PDE3B (0.57) SMN1; SMN2PDE3BPDE3APDE4APDE4B
SCHEMBL11118428 0.71 SMN1; SMN2 (0.43) SMN1; SMN2PDE3BPDE3APDE4APDE4B
SCHEMBL10554267 0.71 SMN1; SMN2 (0.47) SMN1; SMN2PDE3BPDE3APDE2APDE4A
SCHEMBL10773509 0.70 NPC1 (0.53) SMN1; SMN2GPR119LMNAMAPT
SCHEMBL10773520 0.70 NPC1 (0.53) SMN1; SMN2GPR119LMNAMAPT
SCHEMBL2586817 0.70 GPR119 (0.76) SMN1; SMN2GPR119CYP1A2CYP2C9CYP2C19

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-7786119-B2 Drug conjugates of ion channel modulating compounds CARDIOME PHARMA CORP. (CA) 2010-08-31 US disclosed
US-20080021005-A1 Pegylated Ion Channel Modulating Compounds CARDIOME PHARMA CORP. (CA) 2008-01-24 US disclosed
EP-1729814-A2 PEGYLATED ION CHANNEL MODULATING COMPOUNDS Cardiome Pharma Corp. (CA) 2006-12-13 EP disclosed
WO-2005094897-A2 PEGYLATED ION CHANNEL MODULATING COMPOUNDS CARDIOME PHARMA CORP. (CA) 2005-10-13 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-20080021005-A1 Pegylated Ion Channel Modulating Compounds KCNN3, KCNN2, KCNN1 SMN1; SMN2 1263/4885PDE3B 2519/4885PDE3A 2259/4885

“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.