SCHEMBL408495

SCHEMBL408495

CNc1ncnc2c1c(-c1cccc(O)c1)cn2CCC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.44
▸ PIK3CB P42338 2/20 0.44
▸ PIK3CG P48736 2/20 0.44
▸ SRC P12931 12/20 0.44
▸ EGFR P00533 8/20 0.44
▸ ABL1 P00519 8/20 0.44
▸ ABL2 P42684 7/20 0.44
▸ LCK P06239 5/20 0.41
▸ PIK3CA P42336 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ IGF1R P08069 4/20 0.39
▸ MCL1 Q07820 1/20 0.36
▸ FGR P09769 1/20 0.36
▸ EPHA1 P21709 1/20 0.36
▸ TXK P42681 1/20 0.36
▸ FRK P42685 1/20 0.36
▸ PTK6 Q13882 1/20 0.36
▸ ADK P55263 1/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ NTRK1 P04629 2/20 0.36

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
SCHEMBL409025 0.87 SRC (0.49) PIK3CDPIK3CBPIK3CGSRCEGFR
SCHEMBL409452 0.72 PIK3CD (0.71) PIK3CDPIK3CBPIK3CGSRCEGFR
SCHEMBL23630529 0.69 LMNA (0.46) SRCEGFRABL1ABL2ADK
SCHEMBL14086591 0.68 CBR1 (0.37) SRCEGFRABL1ABL2
SCHEMBL24651184 0.68 DYRK3 (0.48) SRCEGFRABL1LCKFRK
SCHEMBL23630530 0.67 SRC (0.42) PIK3CDPIK3CBPIK3CGSRCEGFR
SCHEMBL23630573 0.67 SRC (0.57) SRCEGFRLCKADKLMNA
SCHEMBL25526742 0.67 IGF1R (0.50) SRCEGFRABL1ABL2LCK
SCHEMBL29999024 0.67 FLT3 (0.49) SRCLCKIGF1RFLT3
SCHEMBL29175931 0.67 FLT3 (0.49) SRCLCKIGF1RFLT3

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 — — US claimed
US-7429596-B2 1H-pyrrolo [2,3-D] pyrimidine derivatives and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-30 — — US claimed
US-20050085472-A1 Pyrazolo pyrimidine derivatives and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-04-21 — — US claimed
US-20160168151-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-16 — — US disclosed
US-20160168151-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-16 — — US disclosed
US-20160168151-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-16 — — US disclosed
US-20150031881-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-01-29 — — US disclosed
US-20150031881-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-01-29 — — US disclosed
US-20150031881-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-01-29 — — US disclosed
US-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-15 — — US disclosed
US-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-15 — — US disclosed
US-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-15 — — US disclosed
US-20110269779-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF OPHTHALMIC CONDITIONS INTELLIKINE, INC. (US) 2011-11-03 — — US disclosed
US-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 — — US disclosed
US-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 — — US disclosed
US-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 — — US disclosed
US-7429596-B2 1H-pyrrolo [2,3-D] pyrimidine derivatives and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-30 — — US disclosed
US-7429596-B2 1H-pyrrolo [2,3-D] pyrimidine derivatives and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-30 — — US disclosed
US-7429596-B2 1H-pyrrolo [2,3-D] pyrimidine derivatives and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-30 — — US disclosed
US-20050085472-A1 Pyrazolo pyrimidine derivatives and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-04-21 — — 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 (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-20050085472-A1 Pyrazolo pyrimidine derivatives and methods of use thereof DPYD, DHODH, DLD PIK3CD 2019/4885PIK3CB 1902/4885PIK3CG 2058/4885
US-20160168151-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF DPYD, DHODH, DLD PIK3CD 2019/4885PIK3CB 1902/4885PIK3CG 2058/4885
US-20150031881-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF DPYD, DHODH, DLD PIK3CD 2019/4885PIK3CB 1902/4885PIK3CG 2058/4885
US-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD PIK3CD 2019/4885PIK3CB 1902/4885PIK3CG 2058/4885
US-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD PIK3CD 2019/4885PIK3CB 1902/4885PIK3CG 2058/4885
US-20110269779-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF OPHTHALMIC CONDITIONS MTOR, PIK3C2B, PRKCH PIK3CD 32/4885PIK3CB 9/4885PIK3CG 39/4885

“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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