SCHEMBL15720119

SCHEMBL15720119

C#CCNc1nc(Cl)c2cc[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.41
ACHE P22303 1/20 0.34
AXL P30530 2/20 0.34
PRKCI P41743 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
TYRO3 Q06418 1/20 0.33
CHEK1 O14757 3/20 0.32
AURKA O14965 3/20 0.32
JAK2 O60674 3/20 0.32
MAP4K4 O95819 3/20 0.32
PAK4 O96013 3/20 0.32
RET P07949 3/20 0.32
LTK P29376 3/20 0.32
KDR P35968 3/20 0.32
MAPK8 P45983 3/20 0.32
MAPK9 P45984 3/20 0.32
RPS6KA3 P51812 3/20 0.32
JAK3 P52333 3/20 0.32
MAP2K1 Q02750 3/20 0.32

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
SCHEMBL9231413 0.80 NR1I2 (0.42) ACHEAXLPRKCIADORA2AADORA1
SCHEMBL16743055 0.77 TYRO3 (0.40) AXLPRKCIADORA2AADORA1TYRO3
SCHEMBL4734624 0.76 RAD52 (0.45) KCNH3JAK2JAK1
SCHEMBL15739254 0.75 KCNH3 (0.36) KCNH3JAK3CSF1RTTKJAK1
SCHEMBL4980351 0.75 AXL (0.39) KCNH3ACHEAXLPRKCIADORA2A
Hydrochloric Acid SCHEMBL17158216 0.74 KCNH3 (0.38) KCNH3JAK3CSF1R
SCHEMBL8907430 0.70 AXL (0.34) AXLPRKCIADORA2AADORA1CHEK1
SCHEMBL9284406 0.70 CHEK1 (0.32) AXLPRKCIADORA2AADORA1CHEK1
SCHEMBL3124523 0.70 PRKCI (0.46) AXLPRKCIADORA2AADORA1TYRO3
SCHEMBL15557725 0.69 PRKCI (0.39) AXLPRKCIADORA2AADORA1CHEK1

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-20150291597-A1 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. 2015-10-15 US disclosed
US-20150291597-A1 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. 2015-10-15 US disclosed
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
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 KCNH3 1980/4885ACHE 130/4885AXL 4657/4885

“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.