SCHEMBL12928150

SCHEMBL12928150

Nc1nc2cccc(-c3ccc4nccc(-c5ccncc5)c4c3)c2o1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 7/20 0.55
▸ AKT1 P31749 3/20 0.47
▸ ACVR1 Q04771 7/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ NUDT1 P36639 1/20 0.40
▸ MAP4K4 O95819 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ RPS6KA2 Q15349 1/20 0.38

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
SCHEMBL12928154 0.80 PIK3CA (0.60) PIK3CAAKT1MAP4K4
SCHEMBL12928159 0.79 PIK3CA (0.59) PIK3CAAKT1MAP4K4
SCHEMBL12928144 0.78 PIK3CA (0.54) PIK3CAAKT1ACVR1MAPK10MAP4K4
SCHEMBL10156122 0.77 PIK3CA (0.71) PIK3CAAKT1MAPK10MAP4K4
SCHEMBL730195 0.76 PIK3CA (0.84) PIK3CAAKT1ACVR1MAPK10MAP4K4
SCHEMBL730188 0.74 PIK3CA (0.87) PIK3CAAKT1ACVR1MAPK10MAP4K4
SCHEMBL3653172 0.72 PIK3CA (0.63) PIK3CAAKT1ACVR1MAPK10
SCHEMBL19219069 0.71 PIK3CA (0.71) PIK3CAAKT1ACVR1CA12CA1
SCHEMBL12928157 0.71 PIK3CA (0.62) PIK3CAAKT1MAP4K4
SCHEMBL27898092 0.71 PIK3CA (0.65) PIK3CAACVR1

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 27 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-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
WO-2011022439-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. (US) 2011-02-24 — — WO 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 1/4885AKT1 8/4885ACVR1 2026/4885
US-20150030588-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF PIK3C3, ERBB3, ERBB2 PIK3CA 7/4885AKT1 14/4885ACVR1 537/4885
US-11547697-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885AKT1 8/4885ACVR1 2026/4885
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885AKT1 8/4885ACVR1 2026/4885
US-20150087627-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, PIK3CA, AKT1 PIK3CA 2/4885AKT1 3/4885ACVR1 1417/4885
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885AKT1 8/4885ACVR1 2026/4885
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF MTOR, RPTOR, RICTOR PIK3CA 4/4885AKT1 10/4885ACVR1 2369/4885
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885AKT1 8/4885ACVR1 2026/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 PIK3CA 6/4885AKT1 5/4885ACVR1 2241/4885

“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.

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