SCHEMBL14329331

SCHEMBL14329331

CC(Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(OC2CCN(S(C)(=O)=O)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.40
PIK3CD O00329 12/20 0.40
PIK3CG P48736 5/20 0.40
PIK3R1 P27986 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
ABCB11 O95342 1/20 0.40
TBXA2R P21731 1/20 0.40
HTR2A P28223 1/20 0.40
PDE3A Q14432 1/20 0.40
PIK3R2 O00459 4/20 0.35
SOS1 Q07889 1/20 0.34
HTR3A P46098 1/20 0.34
HTR4 Q13639 1/20 0.34
CYP2C9 P11712 1/20 0.34
GPR119 Q8TDV5 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
SCHEMBL14329327 1.00 EGFR (0.40) EGFRPIK3CDPIK3CGPIK3R1PIK3CA
SCHEMBL14329213 1.00 EGFR (0.40) EGFRPIK3CDPIK3CGPIK3R1PIK3CA
SCHEMBL14329197 0.92 PIK3R1 (0.37) EGFRPIK3CDPIK3R1PIK3CASOS1
SCHEMBL13064806 0.92 PIK3R1 (0.37) EGFRPIK3CDPIK3R1PIK3CASOS1
SCHEMBL14329170 0.92 EGFR (0.36) EGFRPIK3CDPIK3CGPIK3R1PIK3CA
SCHEMBL14329214 0.92 PIK3R1 (0.37) EGFRPIK3CDPIK3R1PIK3CASOS1
SCHEMBL13065717 0.90 EGFR (0.38) EGFRPIK3CDPIK3CGPIK3R1PIK3CA
SCHEMBL16419887 0.90 PIK3CD (0.44) EGFRPIK3CDPIK3CGPIK3R1PIK3CA
SCHEMBL14329189 0.90 PIK3CD (0.39) EGFRPIK3CDPIK3CGPIK3R1PIK3CA
SCHEMBL14329154 0.90 EGFR (0.40) EGFRPIK3CDPIK3CGPIK3R1PIK3CA

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 EGFR 2450/4885PIK3CD 3/4885PIK3CG 7/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB EGFR 2377/4885PIK3CD 2/4885PIK3CG 4/4885

“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.