SCHEMBL14329329

SCHEMBL14329329

Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)nc(NC3CCN(C)CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.43
PIK3CD O00329 3/20 0.41
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
BRD4 O60885 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
PAK1 Q13153 3/20 0.35
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
ADORA2B P29275 1/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL15888072 0.90 BTK (0.40) BTKPIK3CDPIK3R1PIK3CAPAK1
SCHEMBL13064822 0.90 BTK (0.49) BTKPIK3R1PIK3CAPAK1
SCHEMBL13064800 0.89 PIK3CD (0.40) BTKPIK3CDPIK3R1PIK3CAADORA3
SCHEMBL4569358 0.85 PIK3R1 (0.36) BTKPIK3CDPIK3R1PIK3CA
SCHEMBL13064804 0.85 PIK3R1 (0.36) BTKPIK3CDPIK3R1PIK3CA
SCHEMBL14329153 0.85 PIK3R1 (0.36) BTKPIK3CDPIK3R1PIK3CALRRK2
SCHEMBL13064809 0.83 JAK2 (0.39) PIK3CDPIK3R1PIK3CALRRK2
SCHEMBL4569372 0.83 JAK2 (0.39) PIK3CDPIK3R1PIK3CALRRK2
SCHEMBL13064835 0.81 PIK3R1 (0.37) BTKPIK3CDPIK3R1PIK3CA
SCHEMBL15888073 0.80 PIK3CD (0.40) PIK3CDPIK3R1PIK3CA

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 9 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

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 BTK 98/4885PIK3CD 3/4885PIK3R1 18/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB BTK 64/4885PIK3CD 2/4885PIK3R1 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.