SCHEMBL7906422

SCHEMBL7906422

CC(=O)N1CCC(n2nc(-c3ccc4oc(N)nc4c3)c3c(N)ncnc32)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 4/20 0.67
▸ MTOR P42345 14/20 0.57
▸ PIK3CD O00329 8/20 0.57
▸ PIK3CA P42336 7/20 0.57
▸ PIK3CG P48736 7/20 0.57
▸ PIK3CB P42338 6/20 0.57
▸ ABL1 P00519 3/20 0.57
▸ RICTOR Q6R327 1/20 0.57
▸ RPTOR Q8N122 1/20 0.57
▸ PIK3C3 Q8NEB9 1/20 0.57
▸ MAPKAP1 Q9BPZ7 1/20 0.57
▸ MLST8 Q9BVC4 1/20 0.57
▸ PRKDC P78527 3/20 0.56
▸ DDR1 Q08345 2/20 0.56
▸ HDAC1 Q13547 8/20 0.56
▸ EGFR P00533 1/20 0.53
▸ HCK P08631 1/20 0.53
▸ KDR P35968 1/20 0.53
▸ EPHB4 P54760 1/20 0.53
▸ PI4KB Q9UBF8 1/20 0.53

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
SCHEMBL23150471 0.92 MTOR (0.58) SRCMTORPIK3CDPIK3CAPIK3CG
SCHEMBL30405455 0.88 MTOR (0.60) SRCMTORPIK3CDPIK3CAPIK3CG
SCHEMBL31046944 0.88 MTOR (0.60) SRCMTORPIK3CDPIK3CAPIK3CG
SCHEMBL20553461 0.88 MTOR (0.60) SRCMTORPIK3CDPIK3CAPIK3CG
SCHEMBL25064728 0.88 MTOR (0.62) SRCMTORPIK3CDPIK3CAPIK3CG
SCHEMBL30405094 0.86 SRC (0.58) SRCMTORPIK3CDPIK3CAPIK3CG
SCHEMBL24519546 0.84 MTOR (0.57) SRCMTORPIK3CDPIK3CAPIK3CG
SCHEMBL23251634 0.84 MTOR (0.59) SRCMTORPIK3CDPIK3CAPIK3CG
SCHEMBL23251883 0.84 MTOR (0.59) SRCMTORPIK3CDPIK3CAPIK3CG
SCHEMBL23251522 0.84 MTOR (0.57) SRCMTORPIK3CDPIK3CAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172858-B2 Combination pharmaceutical compositions and uses thereof INTELLIKINE LLC (US) 2019-01-08 — — US disclosed
US-20180117060-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2018-05-03 — — US disclosed
US-20180117060-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2018-05-03 — — US disclosed
US-9724354-B2 Combination of catalytic mTORC1/2 inhibitors and selective inhibitors of Aurora A kinase MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-08 — — US disclosed
US-9724354-B2 Combination of catalytic mTORC1/2 inhibitors and selective inhibitors of Aurora A kinase MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-08 — — US disclosed
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS INTELLIKINE LLC 2017-07-27 — — US disclosed
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS INTELLIKINE LLC 2017-07-27 — — US disclosed
US-9669032-B2 Enhanced treatment regimens using mTOR inhibitors INTELLIKINE LLC (US) 2017-06-06 — — US disclosed
US-9669032-B2 Enhanced treatment regimens using mTOR inhibitors INTELLIKINE LLC (US) 2017-06-06 — — US disclosed
EP-3153023-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE Intellikine, LLC (US) 2017-04-12 — — EP disclosed
US-8450329-B2 — — 2013-05-28 — — US disclosed
US-8450480-B2 — — 2013-05-28 — — US disclosed
US-8450329-B2 — — 2013-05-28 — — 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
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use FAETH THERAPEUTICS, INC. 2010-07-29 — — US disclosed
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use FAETH THERAPEUTICS, INC. 2010-07-29 — — US disclosed
US-20100184760-A1 Benzoxazole kinase inhibitors and methods of use FAETH THERAPEUTICS, INC. 2010-07-22 — — US disclosed
WO-2010051043-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2010-05-06 — — WO disclosed
WO-2010051042-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2010-05-06 — — 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 (6 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-20100184760-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 SRC 68/4885MTOR 2/4885PIK3CD 13/4885
US-20180117060-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE AURKC, MTOR, AURKA SRC 1374/4885MTOR 2/4885PIK3CD 150/4885
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 SRC 68/4885MTOR 2/4885PIK3CD 13/4885
US-10172858-B2 Combination pharmaceutical compositions and uses thereof CDC25C, CCNC, CDC25B SRC 825/4885MTOR 424/4885PIK3CD 446/4885
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS MPL, MTX2, SLC10A1 SRC 1515/4885MTOR 3565/4885PIK3CD 2330/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 SRC 248/4885MTOR 1/4885PIK3CD 24/4885

“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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