SCHEMBL2657726

SCHEMBL2657726

CC1CCC(C(N)c2ccncc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.38
ROCK1 Q13464 4/20 0.38
PKN2 Q16513 3/20 0.38
CYP3A4 P08684 3/20 0.38
RPS6KA5 O75582 2/20 0.38
LRRK2 Q5S007 2/20 0.38
TP53 P04637 2/20 0.38
CHUK O15111 1/20 0.38
PRKD3 O94806 1/20 0.38
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
LTK P29376 1/20 0.38
CDK8 P49336 1/20 0.38
PRKX P51817 1/20 0.38
CDK5 Q00535 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCD Q05655 1/20 0.38
STK3 Q13188 1/20 0.38
PRKG2 Q13237 1/20 0.38
CDC42BPA Q5VT25 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
SCHEMBL13947469 0.81 IDO1 (0.46) CYP3A4CYP2D6TSHR
SCHEMBL20206415 0.79 GAA (0.39) KCNH2CYP2D6SLC6A2SLC6A3
SCHEMBL5224265 0.78 SLC6A4 (0.49) ALOX15MAPTSLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL5395260 0.76 SLC6A4 (0.48) ALOX15MAPTSLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL6149747 0.76 SLC6A4 (0.48) ALOX15MAPTSLC6A4SLC6A2SLC6A3
SCHEMBL27456389 0.75 SLC6A2 (0.35) ROCK2ROCK1PKN2CYP3A4RPS6KA5
SCHEMBL827232 0.74 CYP3A4 (0.41) CYP3A4CYP19A1CYP2C19MAPTSLC6A4
SCHEMBL7837848 0.70 AKT2 (0.47) CYP3A4LMNACYP2C19MAPTKDM4E
SCHEMBL3948745 0.70 CYP3A4 (0.39) ROCK2ROCK1PKN2CYP3A4RPS6KA5
SCHEMBL16232135 0.70 OPRM1 (0.47) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362049-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-01-29 US disclosed
US-8318778-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2012-11-27 US disclosed
US-20120165375-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2012-06-28 US disclosed
US-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 US disclosed
EP-2099777-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2009-09-16 EP disclosed
WO-2008084044-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 WO 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 (2 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-20100041711-A1 Urea Glucokinase Activators GCK, GCKR, HK2 ROCK2 2951/4885ROCK1 4460/4885PKN2 972/4885
US-20120165375-A1 Urea Glucokinase Activators GCK, GCKR, HK2 ROCK2 2951/4885ROCK1 4460/4885PKN2 972/4885

“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.