SCHEMBL15879031

SCHEMBL15879031

CC(C)(C)c1nnc(-c2nccnc2N)o1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 8/20 0.39
PIK3CA P42336 7/20 0.39
PIK3CD O00329 4/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CG P48736 1/20 0.39
CNR2 P34972 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.32
ATR Q13535 1/20 0.32

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
SCHEMBL15878892 0.78 PIK3CB (0.46) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL15473880 0.77 PIK3CD (0.38) PIK3CDKDM4EATR
SCHEMBL15471366 0.76 S1PR1 (0.41) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL15878553 0.75 PIK3CB (0.44) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL15878672 0.75 PIK3CB (0.44) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL16997495 0.71 CNR2 (0.36) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL15877882 0.70 PIK3CB (0.42) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL15877883 0.70 PIK3CB (0.42) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL15920612 0.70 PIK3CB (0.42) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL16997502 0.69 KDM4E (0.47) CNR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226131-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2017-08-10 US disclosed
US-9670212-B2 Inhibitors of PI3K-delta and methods of their use and manufacture EXELIXIS, INC. (US) 2017-06-06 US disclosed
US-9657008-B2 Chemical compounds ASTRAZENECA AB (SE) 2017-05-23 US disclosed
US-9657008-B2 Chemical compounds ASTRAZENECA AB (SE) 2017-05-23 US disclosed
US-9657008-B2 Chemical compounds ASTRAZENECA AB (SE) 2017-05-23 US disclosed
EP-2948447-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2016-09-21 EP disclosed
EP-2948447-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2016-09-21 EP disclosed
US-20160137634-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-05-19 US disclosed
US-20160137634-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-05-19 US disclosed
US-20160137634-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-05-19 US disclosed
EP-2948447-A1 CHEMICAL COMPOUNDS Astrazeneca AB (SE) 2015-12-02 EP disclosed
US-9156831-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-10-13 US disclosed
US-9156831-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-10-13 US disclosed
US-9156831-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-10-13 US disclosed
WO-2014114928-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2014-07-31 WO disclosed
WO-2014114928-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2014-07-31 WO disclosed
US-20140206700-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2014-07-24 US disclosed
US-20140206700-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2014-07-24 US disclosed
US-20140206700-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2014-07-24 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 (3 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-20170226131-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 PIK3CB 5/4885PIK3CA 2/4885PIK3CD 1/4885
US-20140206700-A1 CHEMICAL COMPOUNDS MKI67, CCNI, TP53 PIK3CB 1962/4885PIK3CA 1124/4885PIK3CD 2304/4885
US-20160137634-A1 Chemical Compounds MKI67, CCNI, TP53 PIK3CB 1962/4885PIK3CA 1124/4885PIK3CD 2304/4885

“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.