SCHEMBL17482017

SCHEMBL17482017

Cc1ccc2c3ccc(Br)cc3n(CCc3nnn[nH]3)c2c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL17474430 0.92 PLK1 (0.34) PLK1SIGMAR1
SCHEMBL17482010 0.76 CHEK1 (0.38) PLK1
SCHEMBL17482018 0.73 KCNK2 (0.33)
SCHEMBL17482019 0.73 DRD2 (0.39)
SCHEMBL17482024 0.72 KCNK2 (0.42)
SCHEMBL17704935 0.72 RORA (0.46) SIGMAR1
SCHEMBL16169648 0.71 HASPIN (0.41) SIGMAR1
SCHEMBL13374193 0.69 ALDH1A1 (0.41)
SCHEMBL16156822 0.69 PSEN1 (0.38) PLK1
SCHEMBL14689593 0.68 MAPT (0.42) SIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862684-B2 Modulation of K2P channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-01-09 US disclosed
US-20160031814-A1 MODULATION OF K2P CHANNELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 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 (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-20160031814-A1 MODULATION OF K2P CHANNELS KCNJ2, KCNK2, KCNN3 PLK1 404/4885SIGMAR1 1278/4885

“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.