SCHEMBL14329328

SCHEMBL14329328

Cc1cccc2cc(C(C)Nc3ncnc4[nH]cnc34)nc(CCN3CCN(S(C)(=O)=O)CC3)c12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.38
PIK3R1 P27986 2/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
HTR3A P46098 4/20 0.36
HTR4 Q13639 4/20 0.36
LPAR2 Q9HBW0 6/20 0.36
LPAR1 Q92633 3/20 0.36
PIK3CD O00329 5/20 0.34
KDM4E B2RXH2 1/20 0.34
ABCB11 O95342 1/20 0.33
TBXA2R P21731 1/20 0.33
HTR2A P28223 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PDE3A Q14432 1/20 0.33
SOS1 Q07889 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
SCHEMBL14329210 0.92 PIK3CD (0.40) PIK3CAPIK3R1JAK2JAK3HTR3A
SCHEMBL13064835 0.90 PIK3R1 (0.37) PIK3CAPIK3R1JAK2JAK3PIK3CD
SCHEMBL14329183 0.90 PIK3R1 (0.38) PIK3CAPIK3R1PIK3CDABCB11TBXA2R
SCHEMBL14329217 0.87 PIK3CD (0.40) PIK3CAPIK3R1PIK3CDKDM4E
SCHEMBL4569397 0.87 PIK3CD (0.40) PIK3CAPIK3R1PIK3CDKDM4E
SCHEMBL15888071 0.85 PIK3CD (0.41) PIK3CAPIK3R1JAK2JAK3HTR3A
SCHEMBL14329207 0.82 PIK3CD (0.39) PIK3CAPIK3R1JAK2JAK3HTR3A
SCHEMBL14329230 0.82 PIK3CD (0.41) PIK3CAPIK3R1PIK3CDABCB11TBXA2R
SCHEMBL14329181 0.82 PIK3CD (0.40) PIK3CAPIK3R1PIK3CDABCB11TBXA2R
SCHEMBL14329209 0.82 PIK3CD (0.41) PIK3CAPIK3R1PIK3CDABCB11TBXA2R

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 PIK3CA 1/4885PIK3R1 18/4885JAK2 169/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3R1 14/4885JAK2 99/4885

“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.