SCHEMBL13967409

SCHEMBL13967409

Nc1nc2cc(-c3ccc4ncc(-c5cccnc5)nc4c3)ccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.54
PIK3CD O00329 2/20 0.49
PIK3CB P42338 1/20 0.49
MTOR P42345 1/20 0.49
PIK3CG P48736 1/20 0.49
HPGD P15428 1/20 0.46
ATR Q13535 1/20 0.45
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43
PGR P06401 1/20 0.43
CYP19A1 P11511 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL12067379 0.88 PIK3CA (0.47) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL12928980 0.88 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL12928476 0.88 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL12066755 0.87 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL28587646 0.86 PIM1 (0.53) PIK3CAPIK3CDPIM1PIM2KDM4E
SCHEMBL30386502 0.86 PIM1 (0.53) PIK3CAPIK3CDPIM1PIM2KDM4E
SCHEMBL12928168 0.84 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL12928269 0.83 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL12928169 0.82 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL12928988 0.81 PIK3CA (0.48) PIK3CAPIK3CDPIK3CBMTORPIK3CG

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-11547697-B2 Heterocyclic compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2023-01-10 US disclosed
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2019-11-21 US disclosed
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2018-02-15 US disclosed
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2018-02-15 US disclosed
US-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 US disclosed
US-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 US disclosed
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF INTELLIKINE LLC 2016-08-18 US disclosed
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF INTELLIKINE LLC 2016-08-18 US disclosed
US-9085560-B2 Heterocyclic compounds and uses thereof INTELLIKINE, INC. (US) 2015-07-21 US disclosed
US-20150087627-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2015-03-26 US disclosed
US-20150087627-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2015-03-26 US disclosed
US-20150030588-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC 2015-01-29 US disclosed
US-20150030588-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC 2015-01-29 US disclosed
WO-2014151147-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE, LLC (US) 2014-09-25 WO disclosed
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-02-07 US disclosed
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-02-07 US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 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 (9 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-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CD 2/4885PIK3CB 3/4885
US-20150030588-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF PIK3C3, ERBB3, ERBB2 PIK3CA 7/4885PIK3CD 58/4885PIK3CB 33/4885
US-11547697-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CD 2/4885PIK3CB 3/4885
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CD 2/4885PIK3CB 3/4885
US-20150087627-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, PIK3CA, AKT1 PIK3CA 2/4885PIK3CD 13/4885PIK3CB 12/4885
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CD 2/4885PIK3CB 3/4885
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF MTOR, RPTOR, RICTOR PIK3CA 4/4885PIK3CD 14/4885PIK3CB 13/4885
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CD 2/4885PIK3CB 3/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 PIK3CA 6/4885PIK3CD 24/4885PIK3CB 17/4885

“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.