SCHEMBL17173044

SCHEMBL17173044

C#CCNc1nc(N)nc(NCc2ccc(F)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 5/20 0.51
HTR7 P34969 2/20 0.48
ADRA1D P25100 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
HTR6 P50406 1/20 0.48
APP P05067 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
GPR68 Q15743 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL15720500 0.92 KCNH3 (0.58) KCNH3KDM4EMEN1HTTKMT2A
SCHEMBL15719866 0.92 KCNH3 (0.58) KCNH3KDM4EMEN1HTTKMT2A
Hydrochloric Acid SCHEMBL17158228 0.91 KCNH3 (0.61) KCNH3KDM4EMEN1HTTKMT2A
Hydrochloric Acid SCHEMBL17158317 0.91 KCNH3 (0.61) KCNH3KDM4EMEN1HTTKMT2A
SCHEMBL15719522 0.85 KCNH3 (0.51) KCNH3CA1CA2CA9KDM4E
SCHEMBL29223873 0.84 CA1 (0.60) KCNH3HTR7ADRA1DHTR2CADRA1A
SCHEMBL15719886 0.84 CA1 (0.51) KCNH3APPCA1CA2CA9
Hydrochloric Acid SCHEMBL15720238 0.83 KCNH3 (0.52) KCNH3APPCA1CA2CA9
SCHEMBL15720897 0.80 KCNH3 (0.46) KCNH3CA1CA2CA9KDM4E
Hydrochloric Acid SCHEMBL17158343 0.79 KCNH3 (0.48) KCNH3KDM4EMEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291597-A1 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. 2015-10-15 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-20150291597-A1 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME MTNR1B, TNNC1, PER2 KCNH3 1980/4885HTR7 4141/4885ADRA1D 435/4885

“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.