SCHEMBL6687522

SCHEMBL6687522

N#Cc1c(N2CCCCCC2)[nH]c2cccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 12/20 1.00
PDE9A O76083 3/20 0.50
AURKA O14965 1/20 0.41
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BCL6 P41182 1/20 0.39

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
SCHEMBL6694339 1.00 KCNMA1 (1.00) KCNMA1PDE9AAURKACNR2KDM4E
SCHEMBL6685596 1.00 KCNMA1 (1.00) KCNMA1PDE9AAURKACNR2KDM4E
SCHEMBL6686443 1.00 KCNMA1 (1.00) KCNMA1PDE9AAURKACNR2KDM4E
SCHEMBL6683225 0.99 KCNMA1 (1.00) KCNMA1PDE9AAURKACNR2KDM4E
SCHEMBL6681615 0.88 KCNMA1 (1.00) KCNMA1PDE9AKDM4EALDH1A1BCL6
SCHEMBL6686472 0.87 KCNMA1 (0.79) KCNMA1PDE9A
SCHEMBL6690770 0.86 KCNMA1 (0.78) KCNMA1PDE9A
SCHEMBL6687702 0.86 KCNMA1 (0.77) KCNMA1PDE9A
SCHEMBL6690456 0.84 KCNMA1 (1.00) KCNMA1PDE9AKDM4EALDH1A1
SCHEMBL19807077 0.83 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 1831/4885AURKA 1892/4885
US-20040192697-A1 Pyrrolopyridine potassium channel openers KCNJ2, KCNN1, KCNN2 KCNMA1 12/4885PDE9A 1831/4885AURKA 1892/4885

“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.