SCHEMBL788765

SCHEMBL788765

Cc1cccc2cc(CCNc3ncnc4[nH]cnc34)c(-c3ccccc3Cl)nc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.51
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL788676 0.92 PIK3CD (0.58) PIK3CDLMNAHTT
SCHEMBL4443357 0.90 PIK3CD (0.40) PIK3CDLMNAMAPK1HTTSMN1; SMN2
SCHEMBL4443103 0.86 LMNA (0.40) PIK3CDLMNAMAPK1HTTSMN1; SMN2
SCHEMBL4435660 0.84 PIK3CD (0.37) PIK3CDLMNAMAPK1HTTSMN1; SMN2
SCHEMBL4429984 0.84 PIK3CD (0.37) PIK3CDLMNAMAPK1HTTSMN1; SMN2
SCHEMBL4180797 0.84 PIK3CD (0.55) PIK3CDMAPK1
SCHEMBL4178120 0.84 PIK3CD (0.47) PIK3CDLMNAHTTCYP1A2CYP3A4
SCHEMBL4178301 0.82 PIK3CD (0.61) PIK3CD
SCHEMBL4432954 0.82 PIK3CD (0.38) PIK3CDLMNAMAPK1HTTSMN1; SMN2
SCHEMBL4443536 0.81 PIK3CD (0.42) PIK3CDLMNAMAPK1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2137186-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-30 EP disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 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 (2 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 1/4885LMNA 2970/4885MAPK1 205/4885
US-20140045825-A1 Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture PIK3CD, PIK3CA, PIK3R5 PIK3CD 1/4885LMNA 2970/4885MAPK1 205/4885

“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.