SCHEMBL14329201

SCHEMBL14329201

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(OCC2CCN(C)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.43
EGFR P00533 2/20 0.38
PIK3CG P48736 4/20 0.38
HTR2A P28223 2/20 0.38
ABCB11 O95342 1/20 0.38
TBXA2R P21731 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PDE3A Q14432 1/20 0.38
SRC P12931 1/20 0.38
PIK3R2 O00459 5/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR3A P46098 1/20 0.36
HTR6 P50406 1/20 0.36
HTR4 Q13639 1/20 0.36

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
SCHEMBL13064804 0.91 PIK3R1 (0.36) PIK3CDEGFRPIK3R1PIK3CASRC
SCHEMBL4569358 0.91 PIK3R1 (0.36) PIK3CDEGFRPIK3R1PIK3CASRC
SCHEMBL14329149 0.90 IRAK4 (0.38) PIK3CDPIK3CGHTR2AABCB11TBXA2R
SCHEMBL14329189 0.90 PIK3CD (0.39) PIK3CDEGFRPIK3CGHTR2AABCB11
SCHEMBL16419887 0.89 PIK3CD (0.44) PIK3CDEGFRPIK3CGHTR2AABCB11
SCHEMBL14329184 0.84 PIK3R1 (0.35) PIK3CDPIK3CGHTR2AABCB11TBXA2R
SCHEMBL4569403 0.84 PIK3CD (0.40) PIK3CDEGFRPIK3CGHTR2AABCB11
SCHEMBL4569329 0.84 ERBB2 (0.40) PIK3CDPIK3CGHTR2AABCB11TBXA2R
SCHEMBL14329251 0.84 PIK3CD (0.36) PIK3CDEGFRHTR2APIK3R1PIK3CA
SCHEMBL15888076 0.83 PIK3CD (0.40) PIK3CDEGFRPIK3CGHTR2AABCB11

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