SCHEMBL7991699

SCHEMBL7991699

CC(N)CNC(=O)c1ccc(-c2c[nH]c3ncccc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 4/20 0.63
NEK2 P51955 1/20 0.47
PLK1 P53350 1/20 0.47
NEK1 Q96PY6 1/20 0.47
DYRK1A Q13627 5/20 0.46
CDC7 O00311 4/20 0.46
MAP4K4 O95819 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
CDK8 P49336 2/20 0.46
MELK Q14680 2/20 0.46
STK17A Q9UEE5 2/20 0.46
DYRK1B Q9Y463 2/20 0.46
MAPK14 Q16539 1/20 0.46
AKT1 P31749 2/20 0.45
CLK1 P49759 1/20 0.44
ROCK2 O75116 2/20 0.43
PRKACA P17612 2/20 0.43
CDK2 P24941 2/20 0.43
HIPK2 Q9H2X6 2/20 0.43
DAPK3 O43293 1/20 0.43

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
SCHEMBL857720 0.91 CAMKK2 (0.64) CAMKK2NEK2PLK1NEK1DYRK1A
SCHEMBL857846 0.81 CAMKK2 (0.69) CAMKK2PLK1DYRK1ACDC7MAP4K4
SCHEMBL8939859 0.78 CAMKK2 (1.00) CAMKK2NEK2PLK1DYRK1ACDC7
SCHEMBL22044122 0.75 CAMKK2 (0.72) CAMKK2NEK2PLK1DYRK1ACDC7
SCHEMBL858529 0.74 CAMKK2 (0.67) CAMKK2NEK2PLK1DYRK1ACDC7
SCHEMBL858398 0.74 NEK1 (0.72) NEK1ROCK2
SCHEMBL31370271 0.74 CAMKK2 (0.62) CAMKK2NEK2PLK1DYRK1ACDC7
SCHEMBL22044118 0.73 CAMKK2 (0.55) CAMKK2DYRK1ACDC7MAP4K4CLK4
SCHEMBL857695 0.73 CAMKK2 (0.59) CAMKK2DYRK1ACDC7MAP4K4CLK4
SCHEMBL858447 0.72 CAMKK2 (0.56) CAMKK2DYRK1ACDC7MAP4K4CLK4

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 CAMKK2 103/4885NEK2 325/4885PLK1 281/4885

“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.