SCHEMBL8386135

SCHEMBL8386135

COCCOc1ccc(-c2cnc3c(c2)CCN3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.52
PIK3C3 Q8NEB9 1/20 0.46
CHEK2 O96017 1/20 0.44
ALOX5AP P20292 3/20 0.43
FEN1 P39748 3/20 0.43
GRM5 P41594 1/20 0.42
MAOA P21397 1/20 0.40
DYRK1A Q13627 1/20 0.40
BRAF P15056 1/20 0.39
PIK3CD O00329 1/20 0.39
ABL1 P00519 1/20 0.39
S1PR1 P21453 1/20 0.39
PARP1 P09874 1/20 0.38
NNMT P40261 1/20 0.38
KDM4E B2RXH2 1/20 0.37
JAK2 O60674 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TIPARP Q7Z3E1 1/20 0.36
MAPKAPK2 P49137 2/20 0.36

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
SCHEMBL12843909 0.88 ASIC3 (0.53) ASIC3PIK3C3ALOX5APFEN1GRM5
SCHEMBL9908591 0.79 ASIC3 (0.49) ASIC3PIK3C3ALOX5APFEN1GRM5
SCHEMBL8388475 0.79 ASIC3 (0.51) ASIC3PIK3C3GRM5MAOAPIK3CD
SCHEMBL12961046 0.76 ASIC3 (0.57) ASIC3PIK3C3ALOX5APFEN1GRM5
SCHEMBL8388712 0.75 ASIC3 (0.62) ASIC3PIK3C3ALOX5APFEN1GRM5
SCHEMBL10293323 0.75 ASIC3 (0.62) ASIC3PIK3C3ALOX5APFEN1GRM5
SCHEMBL8385558 0.74 ASIC3 (0.61) ASIC3PIK3C3ALOX5APFEN1GRM5
SCHEMBL13004738 0.74 ASIC3 (0.58) ASIC3PIK3C3ALOX5APFEN1GRM5
SCHEMBL27957008 0.74 PPARG (0.52) MAOADYRK1APARP1
SCHEMBL10293281 0.74 ASIC3 (0.54) ASIC3PIK3C3ALOX5APFEN1GRM5

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-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 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-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 ASIC3 4092/4885PIK3C3 596/4885CHEK2 168/4885

“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.