SCHEMBL15720156

SCHEMBL15720156

C#CCNc1nc(Cl)nc(NCC2CCCCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.41
LMNA P02545 1/20 0.40
KCNH3 Q9ULD8 2/20 0.37
IDH1 O75874 1/20 0.35
PTGS2 P35354 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
VCP P55072 1/20 0.33
CSNK2A1 P68400 1/20 0.33
GPR39 O43194 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL15720210 0.92 LMNA (0.43) PDE4ALMNAKCNH3IDH1KMT2A
SCHEMBL20511448 0.84 PDE4A (0.42) PDE4ALMNAIDH1PTGS2MEN1
SCHEMBL15720214 0.82 PDE4A (0.63) PDE4ALMNARAB9A
SCHEMBL15739148 0.80 LMNA (0.58) PDE4ALMNAKCNH3KMT2AGAA
SCHEMBL20814491 0.79 LMNA (0.50) PDE4ALMNAKCNH3IDH1KMT2A
SCHEMBL17158320 0.79 KCNH3 (0.33) KCNH3IDH1PTGS2MEN1KMT2A
SCHEMBL8054361 0.79 IDH1 (0.46) KCNH3IDH1PTGS2MEN1KMT2A
SCHEMBL15720782 0.78 KCNH3 (0.41) KCNH3IDH1VCPGPR39
Hydrochloric Acid SCHEMBL17158291 0.78 KCNH3 (0.35) KCNH3IDH1PTGS2MEN1KMT2A
SCHEMBL15720742 0.78 PDE4A (0.56) PDE4ALMNAKCNH3RAB9A

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 3 patents. 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
EP-2920155-A2 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME Galleon Pharmaceuticals, Inc. (US) 2015-09-23 EP disclosed
WO-2014078575-A2 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. (US) 2014-05-22 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-20150291597-A1 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME MTNR1B, TNNC1, PER2 PDE4A 27/4885LMNA 1297/4885KCNH3 1980/4885

“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.