SCHEMBL7944959

SCHEMBL7944959

CC(=O)N1CCC(n2nc(-c3cc4cc(O)ccc4[nH]3)c3c(N)ncnc32)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.73
PIK3CA P42336 3/20 0.73
PIK3CG P48736 3/20 0.73
RET P07949 12/20 0.61
KDR P35968 7/20 0.59
SRC P12931 3/20 0.59
TGFBR1 P36897 2/20 0.59
BMPR1B O00238 1/20 0.59
PLK4 O00444 1/20 0.59
PIK3C2B O00750 1/20 0.59
CASK O14936 1/20 0.59
GAK O14976 1/20 0.59
EPHB6 O15197 1/20 0.59
DAPK3 O43293 1/20 0.59
MAP3K7 O43318 1/20 0.59
RIPK2 O43353 1/20 0.59
PIP5K1C O60331 1/20 0.59
JAK2 O60674 1/20 0.59
BRD4 O60885 1/20 0.59
RPS6KA5 O75582 1/20 0.59

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
SCHEMBL12422391 0.93 PIK3CD (0.71) PIK3CDPIK3CAPIK3CGRETKDR
SCHEMBL12422343 0.91 PIK3CD (0.72) PIK3CDPIK3CAPIK3CGRETKDR
SCHEMBL21082736 0.89 PIK3CD (0.78) PIK3CDPIK3CAPIK3CGRETKDR
SCHEMBL12022201 0.89 PIK3CD (0.87) PIK3CDPIK3CAPIK3CGRETKDR
SCHEMBL12422337 0.87 PIK3CD (0.84) PIK3CDPIK3CAPIK3CGRETKDR
SCHEMBL12422304 0.87 PIK3CD (0.84) PIK3CDPIK3CAPIK3CGRETKDR
SCHEMBL2195186 0.87 RET (0.80) PIK3CDPIK3CAPIK3CGRETKDR
SCHEMBL1551638 0.87 PIK3CD (0.75) PIK3CDPIK3CAPIK3CGRETKDR
SCHEMBL18922370 0.87 PIK3CD (0.80) PIK3CDPIK3CAPIK3CGRETKDR
SCHEMBL12422336 0.86 PIK3CD (0.82) PIK3CDPIK3CAPIK3CGRETKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976086-B1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2020-10-14 EP disclosed
EP-3009436-B1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC (US) 2019-06-05 EP disclosed
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-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed
US-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 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
WO-2013070976-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS INTELLIKINE, LLC (US) 2013-05-16 WO 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-2012151562-A1 COMBINATION PHARMACEUTICAL COMPOSITIONS AND USES THEREOF INTELLIKINE, LLC (US) 2012-11-08 WO disclosed
US-20110224223-A1 MTOR Modulators and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION (US) 2011-09-15 US disclosed
US-20110224223-A1 MTOR Modulators and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION (US) 2011-09-15 US disclosed
US-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-07-14 US disclosed
US-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-07-14 US disclosed
WO-2010006086-A2 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2010-01-14 WO disclosed
WO-2010006072-A2 MTOR MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-14 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-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 PIK3CD 6/4885PIK3CA 1/4885PIK3CG 11/4885
US-20180117060-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE AURKC, MTOR, AURKA PIK3CD 150/4885PIK3CA 132/4885PIK3CG 282/4885
US-10172858-B2 Combination pharmaceutical compositions and uses thereof CDC25C, CCNC, CDC25B PIK3CD 446/4885PIK3CA 363/4885PIK3CG 758/4885
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS MPL, MTX2, SLC10A1 PIK3CD 2330/4885PIK3CA 1540/4885PIK3CG 2918/4885
US-20110224223-A1 MTOR Modulators and Uses Thereof MTOR, RPTOR, RICTOR PIK3CD 47/4885PIK3CA 40/4885PIK3CG 62/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 PIK3CD 24/4885PIK3CA 6/4885PIK3CG 50/4885

“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.