SCHEMBL8388712

SCHEMBL8388712

Clc1ccc(-c2cnc3c(c2)CCN3)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.62
PIK3CD O00329 2/20 0.51
PIK3C3 Q8NEB9 1/20 0.50
GRM5 P41594 1/20 0.47
NNMT P40261 1/20 0.45
ABL1 P00519 2/20 0.45
ALOX5AP P20292 3/20 0.44
FEN1 P39748 3/20 0.44
KDR P35968 3/20 0.43
MAP4K4 O95819 4/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
NTRK1 P04629 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39
PIM1 P11309 1/20 0.39

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
SCHEMBL10293323 0.84 ASIC3 (0.62) ASIC3PIK3CDPIK3C3GRM5NNMT
SCHEMBL8385558 0.83 ASIC3 (0.61) ASIC3PIK3CDPIK3C3GRM5NNMT
SCHEMBL13533930 0.80 ASIC3 (0.58) ASIC3PIK3CDPIK3C3GRM5NNMT
SCHEMBL13004738 0.80 ASIC3 (0.58) ASIC3PIK3CDPIK3C3GRM5NNMT
SCHEMBL8385272 0.79 NNMT (0.53) ASIC3PIK3CDPIK3C3GRM5NNMT
SCHEMBL10293369 0.78 NNMT (0.69) ASIC3PIK3CDPIK3C3NNMTABL1
SCHEMBL13138515 0.78 ASIC3 (0.56) ASIC3PIK3CDPIK3C3GRM5NNMT
SCHEMBL8388946 0.78 ASIC3 (0.56) ASIC3PIK3CDPIK3C3GRM5NNMT
SCHEMBL3309747 0.77 CHEK1 (0.56) ABL1KDRMAP4K4CHEK1AURKA
SCHEMBL8385495 0.77 ASIC3 (0.57) ASIC3PIK3CDPIK3C3GRM5NNMT

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 4092/4885PIK3CD 311/4885PIK3C3 596/4885

“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.