SCHEMBL13064797

SCHEMBL13064797

Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)nc(N3CCOCC3)c12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 6/20 0.43
STK3 Q13188 6/20 0.43
LRRK2 Q5S007 11/20 0.41
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
PIK3CG P48736 1/20 0.39
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CD O00329 2/20 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
SCHEMBL14329165 0.90 LRRK2 (0.42) STK4STK3LRRK2JAK2JAK3
SCHEMBL20961885 0.90 LRRK2 (0.42) STK4STK3LRRK2JAK2JAK3
SCHEMBL4569372 0.90 JAK2 (0.39) LRRK2JAK2JAK3PIK3R1PIK3CA
SCHEMBL13064809 0.90 JAK2 (0.39) LRRK2JAK2JAK3PIK3R1PIK3CA
SCHEMBL4569397 0.85 PIK3CD (0.40) LRRK2PIK3R1PIK3CAPIK3CD
SCHEMBL14329217 0.85 PIK3CD (0.40) LRRK2PIK3R1PIK3CAPIK3CD
SCHEMBL4569398 0.84 MEN1 (0.39) JAK2PIK3R1PIK3CA
SCHEMBL13064805 0.83 CYP3A4 (0.44) LRRK2PIK3CD
SCHEMBL14329187 0.82 PIK3CD (0.45) STK4STK3LRRK2PIK3CGPIK3R1
SCHEMBL20961866 0.82 PIK3CD (0.45) STK4STK3LRRK2PIK3CGPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427195-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2019-05-01 EP disclosed
US-9315505-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2016-04-19 US disclosed
US-9315505-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2016-04-19 US disclosed
US-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2014-10-02 US disclosed
US-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2014-10-02 US disclosed
US-8785454-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2014-07-22 US disclosed
US-8785454-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2014-07-22 US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 US disclosed
WO-2010129816-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. (US) 2010-11-11 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-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, AKT3, PIK3CD STK4 248/4885STK3 86/4885LRRK2 876/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB STK4 174/4885STK3 96/4885LRRK2 706/4885

“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.