SCHEMBL8388475

SCHEMBL8388475

c1ccc(COc2ccc(-c3cnc4c(c3)CCN4)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.51
GRM5 P41594 2/20 0.50
PIK3CD O00329 1/20 0.46
GSTP1 P09211 2/20 0.45
MAP4K1 Q92918 1/20 0.45
NTRK1 P04629 1/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ALOX5 P09917 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
CYP3A4 P08684 1/20 0.42
MCL1 Q07820 1/20 0.42
PRMT5 O14744 1/20 0.42
XDH P47989 1/20 0.42

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
SCHEMBL8385558 0.82 ASIC3 (0.61) ASIC3GRM5PIK3CDNTRK1PIK3C3
SCHEMBL16195746 0.81 GRM5 (0.46) ASIC3GRM5PIK3CDMAOAMAOB
SCHEMBL12843909 0.80 ASIC3 (0.53) ASIC3GRM5PIK3CDPIK3C3CYP3A4
SCHEMBL8386135 0.79 ASIC3 (0.52) ASIC3GRM5PIK3CDMAOAPIK3C3
SCHEMBL13598169 0.78 MAOB (0.58) GSTP1MAOAMAOBHRH3
SCHEMBL3875255 0.77 MAOA (0.68) MAOAMAOBHRH3ALOX5
Hydrochloric Acid SCHEMBL3902877 0.76 MAOB (0.56) GSTP1MAOAMAOBHRH3
Hydrochloric Acid SCHEMBL3902331 0.76 MAOA (0.66) MAOAMAOBHRH3ALOX5
SCHEMBL4717674 0.76 MAOB (0.66) MAOAMAOBHRH3ALOX5
SCHEMBL10293323 0.74 ASIC3 (0.62) ASIC3GRM5PIK3CDNTRK1PIK3C3

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 4092/4885GRM5 3903/4885PIK3CD 311/4885

“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.