SCHEMBL13065482

SCHEMBL13065482

Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)nc(OC3CCOCC3)c12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.38
SOS1 Q07889 1/20 0.38
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
LRRK2 Q5S007 8/20 0.35
MAPK1 P28482 2/20 0.34
SRC P12931 1/20 0.33
PDE10A Q9Y233 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CSF1R P07333 1/20 0.33
BRD4 O60885 1/20 0.32
PIK3CD O00329 1/20 0.32
GRM4 Q14833 1/20 0.31

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
SCHEMBL13064815 0.91 PIK3CD (0.38) SOS1PIK3R1PIK3CAMAPK1BRD4
SCHEMBL14329153 0.89 PIK3R1 (0.36) EGFRSOS1PIK3R1PIK3CALRRK2
SCHEMBL4569339 0.89 PIK3R1 (0.36) SOS1PIK3R1PIK3CAPIK3CD
SCHEMBL13065460 0.89 PIK3R1 (0.36) SOS1PIK3R1PIK3CAPIK3CD
SCHEMBL14329192 0.87 PIK3CD (0.36) EGFRPIK3R1PIK3CAPIK3CD
SCHEMBL15888074 0.86 PIK3R1 (0.34) EGFRPIK3R1PIK3CAPIK3CD
SCHEMBL14329197 0.86 PIK3R1 (0.37) EGFRSOS1PIK3R1PIK3CAPIK3CD
SCHEMBL13064824 0.86 BTK (0.39) SOS1PIK3R1PIK3CA
SCHEMBL14329214 0.86 PIK3R1 (0.37) EGFRSOS1PIK3R1PIK3CAPIK3CD
SCHEMBL13064806 0.86 PIK3R1 (0.37) EGFRSOS1PIK3R1PIK3CAPIK3CD

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 EGFR 2450/4885SOS1 1439/4885PIK3R1 18/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB EGFR 2377/4885SOS1 1020/4885PIK3R1 14/4885

“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.