SCHEMBL409367

SCHEMBL409367

Cn1nc(-c2ccccc2)c2c(N)ncnc21

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.82
PIK3CA P42336 11/20 0.82
PIK3CB P42338 11/20 0.82
PIK3CG P48736 11/20 0.82
PRKDC P78527 11/20 0.82
NUDT14 O95848 1/20 0.78
NUDT5 Q9UKK9 1/20 0.78
SRC P12931 13/20 0.71
ABL1 P00519 9/20 0.71
EGFR P00533 9/20 0.71
HCK P08631 8/20 0.71
MTOR P42345 8/20 0.71
EPHB4 P54760 8/20 0.71
KDR P35968 7/20 0.71
PI4KB Q9UBF8 2/20 0.61
FYN P06241 2/20 0.60
AURKA O14965 1/20 0.55
IKBKE Q14164 1/20 0.55
AURKB Q96GD4 1/20 0.55

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
SCHEMBL130529 0.88 NUDT14 (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30782445 0.88 NUDT14 (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL12366 0.88 NUDT14 (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23917506 0.86 NUDT14 (0.64) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL13826003 0.86 SRC (0.68) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL130421 0.85 PIK3CD (0.78) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL21079131 0.85 NUDT14 (0.66) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL130419 0.85 PIK3CD (0.70) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL23917243 0.85 KDM4E (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL13019672 0.85 SRC (0.69) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844038-B2 1,2-dithiolane compounds useful in neuroprotection, autoimmune and cancer diseases and conditions SABILA BIOSCIENCES LLC (US) 2020-11-24 US disclosed
US-RE48175-E1 Hydrophobically tagged small molecules as inducers of protein degradation DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-08-25 US disclosed
US-20180093990-A1 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-05 US disclosed
US-9758522-B2 Hydrophobically tagged small molecules as inducers of protein degradation DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-09-12 US disclosed
US-9580427-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-28 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-20140323464-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-30 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-20090181988-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 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 (7 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-20160168151-A1 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF DPYD, DHODH, DLD PIK3CD 2019/4885PIK3CA 1473/4885PIK3CB 1902/4885
US-20140323464-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 PIK3CD 214/4885PIK3CA 121/4885PIK3CB 160/4885
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-20120065154-A1 Pyrazolo Pyrimidine Derivatives and Methods of Use Thereof DPYD, DHODH, DLD PIK3CD 2019/4885PIK3CA 1473/4885PIK3CB 1902/4885
US-10844038-B2 1,2-dithiolane compounds useful in neuroprotection, autoimmune and cancer diseases and conditions BTK, FYN, YES1 PIK3CD 191/4885PIK3CA 186/4885PIK3CB 365/4885
US-20180093990-A1 HYDROPHOBICALLY TAGGED SMALL MOLECULES AS INDUCERS OF PROTEIN DEGRADATION MYC, TP53, MDM2 PIK3CD 3060/4885PIK3CA 2420/4885PIK3CB 2678/4885

“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.