SCHEMBL12422374

SCHEMBL12422374

CC(C)n1nc(-c2cc3cccc(Cl)c3[nH]2)c2c(N)ncnc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 6/20 0.78
▸ PIK3CG P48736 6/20 0.78
▸ SRC P12931 13/20 0.71
▸ ABL1 P00519 9/20 0.71
▸ RET P07949 7/20 0.70
▸ KDR P35968 7/20 0.70
▸ PIK3CA P42336 4/20 0.61
▸ PIK3CB P42338 4/20 0.61
▸ PRKDC P78527 4/20 0.61
▸ EGFR P00533 3/20 0.61
▸ HCK P08631 3/20 0.61
▸ MTOR P42345 3/20 0.61
▸ EPHB4 P54760 3/20 0.61
▸ PI4KB Q9UBF8 2/20 0.61
▸ BMPR1B O00238 1/20 0.61
▸ PLK4 O00444 1/20 0.61
▸ PIK3C2B O00750 1/20 0.61
▸ CASK O14936 1/20 0.61
▸ GAK O14976 1/20 0.61
▸ EPHB6 O15197 1/20 0.61

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
SCHEMBL12253470 0.88 PIK3CD (0.79) PIK3CDPIK3CGSRCABL1RET
SCHEMBL1297293 0.88 PIK3CD (1.00) PIK3CDPIK3CGSRCABL1RET
SCHEMBL12422299 0.86 PIK3CD (0.75) PIK3CDPIK3CGSRCABL1RET
SCHEMBL12422307 0.85 PIK3CD (0.64) PIK3CDPIK3CGSRCABL1RET
SCHEMBL12422313 0.84 PIK3CD (0.78) PIK3CDPIK3CGSRCABL1RET
SCHEMBL29388393 0.83 SRC (1.00) PIK3CDPIK3CGSRCABL1RET
SCHEMBL12422297 0.83 SRC (1.00) PIK3CDPIK3CGSRCABL1RET
SCHEMBL12509448 0.83 PIK3CD (0.61) PIK3CDPIK3CGSRCABL1RET
SCHEMBL1296185 0.83 RET (1.00) PIK3CDPIK3CGSRCABL1RET
SCHEMBL29388046 0.83 RET (1.00) PIK3CDPIK3CGSRCABL1RET

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 52 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
US-20130209543-A1 ENHANCED TREATMENT REGIMENS USING MTOR INHIBITORS INTELLIKINE LLC (US) 2013-08-15 — — US disclosed
WO-2013078440-A2 ENHANCED TREATMENT REGIMENS USING MTOR INHIBITORS INTELLIKINE, LLC (US) 2013-05-30 — — WO 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
WO-2012148540-A1 COMBINATION OF KANASE INHIBITORS AND USES THREOF INTELLIKINE, LLC (US) 2012-11-01 — — WO 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

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 6/4885PIK3CG 11/4885SRC 54/4885
US-20130209543-A1 ENHANCED TREATMENT REGIMENS USING MTOR INHIBITORS RICTOR, MTOR, RPTOR PIK3CD 58/4885PIK3CG 141/4885SRC 409/4885
US-20180117060-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE AURKC, MTOR, AURKA PIK3CD 150/4885PIK3CG 282/4885SRC 1374/4885
US-10172858-B2 Combination pharmaceutical compositions and uses thereof CDC25C, CCNC, CDC25B PIK3CD 446/4885PIK3CG 758/4885SRC 825/4885
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS MPL, MTX2, SLC10A1 PIK3CD 2330/4885PIK3CG 2918/4885SRC 1515/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 PIK3CD 24/4885PIK3CG 50/4885SRC 248/4885

“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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