SCHEMBL8385495

SCHEMBL8385495

c1ncc(-c2cnc3c(c2)CCN3)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.57
PIK3C3 Q8NEB9 1/20 0.49
GRM5 P41594 1/20 0.49
NNMT P40261 3/20 0.47
PIK3CD O00329 1/20 0.44
FEN1 P39748 4/20 0.43
ALOX5AP P20292 3/20 0.43
ABL1 P00519 2/20 0.41
CYP11B2 P19099 2/20 0.40
ADORA2A P29274 1/20 0.39
CYP11B1 P15538 1/20 0.36
MAP3K12 Q12852 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
NTRK1 P04629 1/20 0.34
CSF1R P07333 1/20 0.34

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
SCHEMBL8385317 0.82 ASIC3 (0.57) ASIC3PIK3C3GRM5NNMTPIK3CD
SCHEMBL8385558 0.79 ASIC3 (0.61) ASIC3PIK3C3GRM5NNMTPIK3CD
SCHEMBL10293281 0.79 ASIC3 (0.54) ASIC3PIK3C3GRM5NNMTPIK3CD
SCHEMBL14147612 0.77 ASIC3 (0.55) ASIC3PIK3C3GRM5NNMTPIK3CD
SCHEMBL8388712 0.77 ASIC3 (0.62) ASIC3PIK3C3GRM5NNMTPIK3CD
SCHEMBL10293323 0.77 ASIC3 (0.62) ASIC3PIK3C3GRM5NNMTPIK3CD
SCHEMBL12305720 0.74 ASIC3 (0.52) ASIC3PIK3C3GRM5NNMTPIK3CD
SCHEMBL30672241 0.74
SCHEMBL2449272 0.74
SCHEMBL16196089 0.73 NNMT (0.47) ASIC3PIK3C3GRM5NNMTPIK3CD

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 596/4885GRM5 3903/4885

“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.