SCHEMBL4569403

SCHEMBL4569403

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(OCCN2CCCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.40
PIK3R2 O00459 8/20 0.40
EGFR P00533 3/20 0.39
ERBB2 P04626 2/20 0.39
PIK3CG P48736 2/20 0.39
ABCB11 O95342 1/20 0.39
TBXA2R P21731 1/20 0.39
PIK3R1 P27986 1/20 0.39
HTR2A P28223 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PDE3A Q14432 1/20 0.39
SRC P12931 2/20 0.37
KDR P35968 2/20 0.37
HRH3 Q9Y5N1 1/20 0.35
MAP4K4 O95819 1/20 0.35
JAK2 O60674 1/20 0.34
LCK P06239 1/20 0.34
ZAP70 P43403 1/20 0.34
JAK3 P52333 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
SCHEMBL15888076 0.99 PIK3CD (0.40) PIK3CDPIK3R2EGFRERBB2PIK3CG
SCHEMBL14329222 0.93 PIK3CD (0.46) PIK3CDPIK3R2EGFRERBB2PIK3CG
SCHEMBL20961881 0.93 PIK3CD (0.46) PIK3CDPIK3R2EGFRERBB2PIK3CG
SCHEMBL4569399 0.91 PIK3R1 (0.36) PIK3CDEGFRERBB2PIK3R1PIK3CA
SCHEMBL14329207 0.90 PIK3CD (0.39) PIK3CDPIK3R2EGFRERBB2PIK3CG
SCHEMBL14329209 0.87 PIK3CD (0.41) PIK3CDPIK3R2PIK3CGABCB11TBXA2R
SCHEMBL14329230 0.87 PIK3CD (0.41) PIK3CDPIK3R2PIK3CGABCB11TBXA2R
SCHEMBL4569404 0.86 PIK3CG (0.38) PIK3CDEGFRPIK3CGPIK3R1PIK3CA
SCHEMBL14329271 0.85 PIK3CD (0.45) PIK3CDPIK3R2EGFRERBB2PIK3CG
SCHEMBL4569368 0.85 PIK3CD (0.48) PIK3CDPIK3R2EGFRERBB2PIK3CG

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 18 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-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US 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-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 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-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 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 (4 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-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R2 35/4885EGFR 1194/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R2 35/4885EGFR 1194/4885
US-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, AKT3, PIK3CD PIK3CD 3/4885PIK3R2 30/4885EGFR 2450/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R2 17/4885EGFR 2377/4885

“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.