SCHEMBL15925947

SCHEMBL15925947

N#Cc1ccc(Cc2c(C(=O)O)sc(N3CCOCC3)c2C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.55
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PIK3R1 P27986 1/20 0.42
AR P10275 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA4 P48058 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.39
PRKDC P78527 2/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
CD274 Q9NZQ7 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EP300 Q09472 1/20 0.38
LMNA P02545 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37

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
SCHEMBL10298687 0.90 PIK3CA (0.54) PIK3CAFNTAFNTBPIK3R1GRIA2
SCHEMBL10308535 0.90 PIK3CA (0.54) PIK3CAFNTAFNTBPIK3R1GRIA2
SCHEMBL10298704 0.90 PIK3CA (0.69) PIK3CAFNTAFNTBGRIA2GRIA4
SCHEMBL10298669 0.89 PIK3CA (0.53) PIK3CAFNTAFNTBPIK3R1GRIA2
SCHEMBL623337 0.86 PIK3CA (0.58) PIK3CAFNTAFNTBPIK3R1GRIA2
SCHEMBL10298677 0.85 PIK3CA (0.49) PIK3CAFNTAFNTBPIK3R1GRIA2
SCHEMBL10006318 0.85 PIK3CA (0.51) PIK3CAFNTAFNTBPIK3R1GRIA2
SCHEMBL10298769 0.85 PIK3CA (0.51) PIK3CAFNTAFNTBPIK3R1GRIA2
SCHEMBL622915 0.83 PIK3CA (0.54) PIK3CAFNTAFNTBPIK3R1GRIA2
SCHEMBL10298714 0.83 PIK3CA (0.49) PIK3CAFNTAFNTBPIK3R1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 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 (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-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CA 5/4885FNTA 1636/4885FNTB 1879/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 PIK3CA 5/4885FNTA 1210/4885FNTB 1378/4885

“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.