SCHEMBL13064800

SCHEMBL13064800

Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)nc(NC3CCOCC3)c12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.40
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
CSF1R P07333 2/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
NTRK1 P04629 1/20 0.36
IRAK4 Q9NWZ3 3/20 0.36
LRRK2 Q5S007 1/20 0.35
DYRK1A Q13627 1/20 0.35
BTK Q06187 5/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
CHRM4 P08173 1/20 0.32

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
SCHEMBL14329329 0.89 BTK (0.43) PIK3CDPIK3R1PIK3CALRRK2BTK
SCHEMBL15888072 0.85 BTK (0.40) PIK3CDPIK3R1PIK3CAIRAK4BTK
SCHEMBL13064822 0.85 BTK (0.49) PIK3R1PIK3CAJAK2IRAK4BTK
SCHEMBL13065482 0.85 EGFR (0.38) PIK3CDPIK3R1PIK3CACSF1RIRAK4
SCHEMBL13064797 0.82 STK4 (0.43) PIK3CDPIK3R1PIK3CAJAK2LRRK2
SCHEMBL13064805 0.81 CYP3A4 (0.44) PIK3CDLRRK2
SCHEMBL4569335 0.80 PIK3R1 (0.41) PIK3CDPIK3R1PIK3CA
SCHEMBL14329217 0.79 PIK3CD (0.40) PIK3CDPIK3R1PIK3CALRRK2
SCHEMBL4569397 0.79 PIK3CD (0.40) PIK3CDPIK3R1PIK3CALRRK2
SCHEMBL4569398 0.78 MEN1 (0.39) PIK3R1PIK3CAJAK2BTKADORA2A

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 PIK3CD 3/4885PIK3R1 18/4885PIK3CA 1/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R1 14/4885PIK3CA 1/4885

“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.