SCHEMBL407936

SCHEMBL407936

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 1.00
▸ PIK3CA P42336 2/20 1.00
▸ PIK3CB P42338 2/20 1.00
▸ PIK3CG P48736 2/20 1.00
▸ PRKDC P78527 2/20 1.00
▸ ABL1 P00519 7/20 0.62
▸ EGFR P00533 6/20 0.62
▸ ABL2 P42684 5/20 0.62
▸ SRC P12931 10/20 0.61
▸ KDR P35968 9/20 0.61
▸ HCK P08631 1/20 0.61
▸ MTOR P42345 1/20 0.61
▸ EPHB4 P54760 1/20 0.61
▸ PI4KB Q9UBF8 1/20 0.61
▸ LCK P06239 5/20 0.60
▸ RET P07949 4/20 0.60
▸ KIF5B P33176 3/20 0.60
▸ JAK2 O60674 2/20 0.60
▸ NTRK1 P04629 2/20 0.60
▸ INSR P06213 2/20 0.60

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
SCHEMBL7057974 0.85 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL2074398 0.85 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL409452 0.83 PIK3CD (0.71) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL18868077 0.82 PIK3CD (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL27399946 0.80 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL7007567 0.79 KDR (0.71) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL7841486 0.79 SRC (0.78) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL27378709 0.79 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL407926 0.77 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL407941 0.77 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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 26 patents — showing the first 20. 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-9512125-B2 Substituted pyrazolo[3.4-D] pyrimidines as anti-inflammatory agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-06 — — US disclosed
US-9512125-B2 Substituted pyrazolo[3.4-D] pyrimidines as anti-inflammatory agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-06 — — 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-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-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-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-14 — — US disclosed
US-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-14 — — 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 2019/4885PIK3CA 1473/4885PIK3CB 1902/4885
US-20160168151-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF DPYD, DHODH, DLD PIK3CD 2019/4885PIK3CA 1473/4885PIK3CB 1902/4885
US-20150031881-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF DPYD, DHODH, DLD PIK3CD 2019/4885PIK3CA 1473/4885PIK3CB 1902/4885
US-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD PIK3CD 2019/4885PIK3CA 1473/4885PIK3CB 1902/4885
US-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES TNF, TSLP, IL1B PIK3CD 3413/4885PIK3CA 2924/4885PIK3CB 2868/4885

“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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