SCHEMBL17032328

SCHEMBL17032328

Cc1c[nH]c2ncnc(C(C)(C)C)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.42
IRAK4 Q9NWZ3 2/20 0.41
TRPA1 O75762 1/20 0.41
LIMK1 P53667 3/20 0.39
ROCK2 O75116 1/20 0.39
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
NTRK1 P04629 1/20 0.38
PRKACA P17612 1/20 0.38
LTK P29376 1/20 0.38
MAP2K2 P36507 1/20 0.38
MAPK8 P45983 1/20 0.38
CDK8 P49336 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
RPS6KA3 P51812 1/20 0.38
CDK5 Q00535 1/20 0.38
MAP2K1 Q02750 1/20 0.38

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
SCHEMBL19185358 0.81 IRAK4 (0.41) IRAK4TRPA1PRKD3MAP4K4PAK4
SCHEMBL19185239 0.77 MAP3K7 (0.54) IRAK4ROCK2ROCK1LRRK2HSP90AB1
SCHEMBL9967152 0.76 AKT1 (0.46) AKT1IRAK4TRPA1LIMK1ROCK2
SCHEMBL19185382 0.75 MAP3K7 (0.41)
SCHEMBL10259826 0.75 AKT1 (0.45) AKT1IRAK4TRPA1LIMK1ROCK2
SCHEMBL20171693 0.73 CHEK1 (0.47) AKT1IRAK4TRPA1LIMK1ROCK2
SCHEMBL357993 0.73 CHEK1 (0.61) AKT1IRAK4TRPA1LIMK1ROCK2
SCHEMBL1804027 0.73 AKT1 (0.44) AKT1IRAK4TRPA1LIMK1ROCK2
SCHEMBL26777937 0.73 KDM4E (0.30)
SCHEMBL21392347 0.70 EGFR (0.47) IRAK4TRPA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
US-20190292189-A1 LIM KINASE INHIBITORS VIRONGY, LLC 2019-09-26 US disclosed
US-9511070-B2 Heterocyclyl carboxamides for treating viral diseases NOVADRUG, LLC (US) 2016-12-06 US disclosed
US-20150238489-A1 HETEROCYCLYL CARBOXAMIDES FOR TREATING VIRAL DISEASES NOVADRUG, LLC 2015-08-27 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 (5 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP AKT1 2136/4885IRAK4 1827/4885TRPA1 1604/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP AKT1 2136/4885IRAK4 1827/4885TRPA1 1604/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP AKT1 2136/4885IRAK4 1827/4885TRPA1 1604/4885
US-20150238489-A1 HETEROCYCLYL CARBOXAMIDES FOR TREATING VIRAL DISEASES SARS1, PYCARD, BRD1 AKT1 4352/4885IRAK4 1851/4885TRPA1 1091/4885
US-20190292189-A1 LIM KINASE INHIBITORS LIMK1, LIMK2, LIMA1 AKT1 110/4885IRAK4 402/4885TRPA1 2839/4885

“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.