SCHEMBL407941

SCHEMBL407941

CC(C)n1cc(-c2cccc(O)c2)c2c(N(Cc3ccccc3)Cc3ccccc3)ncnc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.62
▸ PIK3CB P42338 3/20 0.62
▸ PIK3CG P48736 3/20 0.62
▸ PIK3CA P42336 2/20 0.62
▸ PRKDC P78527 2/20 0.62
▸ ABL1 P00519 6/20 0.45
▸ EGFR P00533 6/20 0.45
▸ ABL2 P42684 5/20 0.45
▸ CSF1R P07333 1/20 0.43
▸ SRC P12931 9/20 0.41
▸ KDR P35968 4/20 0.41
▸ TEK Q02763 3/20 0.41
▸ LCK P06239 1/20 0.41
▸ CDK1 P06493 2/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCNB3 Q8WWL7 1/20 0.40
▸ HCK P08631 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ EPHB4 P54760 1/20 0.40

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
SCHEMBL407926 0.80 PIK3CD (0.62) PIK3CDPIK3CBPIK3CGPIK3CAPRKDC
SCHEMBL407936 0.77 PIK3CD (1.00) PIK3CDPIK3CBPIK3CGPIK3CAPRKDC
SCHEMBL409452 0.76 PIK3CD (0.71) PIK3CDPIK3CBPIK3CGPIK3CAPRKDC
SCHEMBL7058330 0.70 PIK3CD (0.55) PIK3CDPIK3CBPIK3CGPIK3CAPRKDC
SCHEMBL461766 0.65 PIK3CD (0.56) PIK3CDPIK3CBPIK3CGPIK3CAPRKDC
SCHEMBL34470318 0.65 MAPT (0.61) CDK1CCNB2CCNB1CCNB3PI4KB
SCHEMBL461761 0.64 PIK3CD (0.55) PIK3CDPIK3CBPIK3CGPIK3CAPRKDC
SCHEMBL3131698 0.64 PIK3CD (0.61) PIK3CDPIK3CBPIK3CGPIK3CAPRKDC
SCHEMBL407932 0.64 PIK3CD (0.52) PIK3CDPIK3CBPIK3CGPIK3CAPRKDC
SCHEMBL407957 0.63 PIK3CD (0.51) PIK3CDPIK3CBPIK3CGPIK3CAPRKDC

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
WO-2010059593-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF OPHTHALMIC CONDITIONS INTELLIKINE, INC. (US) 2010-05-27 — — WO 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 (5 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

“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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