SCHEMBL788183

SCHEMBL788183

Cc1ccccc1-c1c(Cn2cnc3c(N)ncnc32)nc2ccccc2c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 1.00
ADORA2A P29274 1/20 0.53
PI4KA P42356 1/20 0.53
PI4K2B Q8TCG2 1/20 0.53
PI4K2A Q9BTU6 1/20 0.53
PI4KB Q9UBF8 1/20 0.53
PIK3R1 P27986 2/20 0.52
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL788071 0.85 PIK3CD (1.00) PIK3CDADORA2APIK3R1PIK3CBPIK3CG
SCHEMBL788464 0.84 PIK3CD (1.00) PIK3CDADORA2API4KAPI4K2BPI4K2A
SCHEMBL788861 0.82 PIK3CD (1.00) PIK3CDADORA2API4KAPI4K2BPI4K2A
SCHEMBL14850581 0.82 PIK3CD (0.86) PIK3CDADORA2API4KAPI4K2BPI4K2A
SCHEMBL11902062 0.78 PIK3CD (0.63) PIK3CDADORA2API4KAPI4K2BPI4K2A
SCHEMBL30257172 0.77 PIK3CD (0.63) PIK3CDADORA2API4KAPI4K2BPI4K2A
SCHEMBL15188917 0.77 PIK3CD (0.63) PIK3CDADORA2API4KAPI4K2BPI4K2A
SCHEMBL890512 0.77 PIK3CD (1.00) PIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL12004778 0.77 PIK3CD (0.74) PIK3CDADORA2API4KAPI4K2BPI4K2A
SCHEMBL788939 0.76 PIK3CD (1.00) PIK3CDPIK3CG

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053470-B2 Inhibitors of PI3K-delta and methods of their use and manufacture EXELIXIS, INC. (US) 2018-08-21 US claimed
US-20170226131-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2017-08-10 US claimed
US-20140303151-A9 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-10-09 US claimed
US-20140045825-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-02-13 US claimed
EP-2616442-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-07-24 EP claimed
WO-2012037204-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-03-22 WO claimed
US-10053470-B2 Inhibitors of PI3K-delta and methods of their use and manufacture EXELIXIS, INC. (US) 2018-08-21 US disclosed
EP-2616442-B1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS INC (US) 2018-08-08 EP disclosed
US-20170226131-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2017-08-10 US disclosed
US-20170226131-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2017-08-10 US disclosed
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-9670212-B2 Inhibitors of PI3K-delta and methods of their use and manufacture EXELIXIS, INC. (US) 2017-06-06 US disclosed
US-20140303151-A9 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-10-09 US disclosed
US-20140045825-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-02-13 US disclosed
US-20140045825-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-02-13 US disclosed
US-20140045825-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-02-13 US disclosed
EP-2616442-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-07-24 EP disclosed
WO-2012037204-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-03-22 WO disclosed
WO-2012037204-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-03-22 WO 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 (4 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-20140303151-A9 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 PIK3CD 1/4885ADORA2A 3349/4885PI4KA 13/4885
US-20170226131-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 PIK3CD 1/4885ADORA2A 3293/4885PI4KA 14/4885
US-10053470-B2 Inhibitors of PI3K-delta and methods of their use and manufacture PIK3CD, PIK3CA, PIK3R5 PIK3CD 1/4885ADORA2A 3293/4885PI4KA 14/4885
US-20140045825-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 PIK3CD 1/4885ADORA2A 3349/4885PI4KA 13/4885

“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.