SCHEMBL6685759

SCHEMBL6685759

N#Cc1c(N2CC[C@@H](O)C2)[nH]c2cccnc12

nearest known ligand 0.87

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 12/20 0.87
PDE9A O76083 3/20 0.47
PDE4D Q08499 1/20 0.41
SLC40A1 Q9NP59 1/20 0.38
AR P10275 1/20 0.38
PDE10A Q9Y233 2/20 0.37

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
SCHEMBL6685763 1.00 KCNMA1 (0.87) KCNMA1PDE9APDE4DSLC40A1AR
SCHEMBL6686242 1.00 KCNMA1 (0.87) KCNMA1PDE9APDE4DSLC40A1AR
SCHEMBL6688893 0.93 KCNMA1 (1.00) KCNMA1PDE9APDE10A
SCHEMBL19807077 0.93 KCNMA1 (1.00) KCNMA1PDE9APDE10A
SCHEMBL6690456 0.93 KCNMA1 (1.00) KCNMA1PDE9APDE4D
SCHEMBL6687202 0.84 KCNMA1 (0.69) KCNMA1PDE9AAR
SCHEMBL6689982 0.83 KCNMA1 (1.00) KCNMA1PDE9A
SCHEMBL24276321 0.82 PDE9A (0.66) KCNMA1PDE9A
SCHEMBL6683225 0.81 KCNMA1 (1.00) KCNMA1PDE9A
SCHEMBL6685596 0.80 KCNMA1 (1.00) KCNMA1PDE9A

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-20040192697-A1 Pyrrolopyridine potassium channel openers ABBOTT LABORATORIES 2004-09-30 US claimed
WO-2004060893-A1 PYRROLOPYRIDINE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2004-07-22 WO claimed
US-20040122218-A1 Pyrrolopyridine potassium channel openers ABBOTT LABORATORIES 2004-06-24 US claimed
US-20040192697-A1 Pyrrolopyridine potassium channel openers ABBOTT LABORATORIES 2004-09-30 US disclosed
WO-2004060893-A1 PYRROLOPYRIDINE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2004-07-22 WO disclosed
US-20040122218-A1 Pyrrolopyridine potassium channel openers ABBOTT LABORATORIES 2004-06-24 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-20040122218-A1 Pyrrolopyridine potassium channel openers KCNJ2, KCNN1, KCNN2 KCNMA1 12/4885PDE9A 1831/4885PDE4D 1821/4885
US-20040192697-A1 Pyrrolopyridine potassium channel openers KCNJ2, KCNN1, KCNN2 KCNMA1 12/4885PDE9A 1831/4885PDE4D 1821/4885

“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.