SCHEMBL11986397

SCHEMBL11986397

CCNc1nc(S)nc(C)c1C=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.34
PRKCD Q05655 1/20 0.34
CAMK2B Q13554 1/20 0.34
CAMK2G Q13555 1/20 0.34
CAMK2D Q13557 1/20 0.34
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL12262375 0.82 NPSR1 (0.36) FLT3PRKCDCAMK2BCAMK2GCAMK2D
SCHEMBL1902227 0.77 CA1 (0.41) FLT3PRKCDCAMK2BCAMK2GCAMK2D
SCHEMBL12640263 0.68 ALDH1A1 (0.32)
SCHEMBL12640264 0.68 KDM4E (0.35)
SCHEMBL3739611 0.67 NLRP3 (0.36)
SCHEMBL2854701 0.64 TLR8 (0.62)
SCHEMBL1897611 0.60 TLR8 (0.39) FLT3PRKCDCAMK2BCAMK2GCAMK2D
SCHEMBL1897612 0.60 TLR8 (0.39) FLT3PRKCDCAMK2BCAMK2GCAMK2D
SCHEMBL10651511 0.60 LMNA (0.58)
SCHEMBL3393781 0.60 LMNA (0.52)

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-8247408-B2 Pyridopyrimidinone inhibitors of PI3Kα for the treatment of cancer EXELIXIS, INC. (US) 2012-08-21 US disclosed
US-8044062-B2 Substituted pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors of phospatidylinositol 3-kinase alpha EXELIXIS, INC. (US) 2011-10-25 US disclosed
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA EXELIXIS, INC. (US) 2010-08-19 US disclosed
US-20100150827-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER EXELIXIS, INC (US) 2010-06-17 US disclosed
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha EXELIXIX, INC. (US) 2009-10-29 US disclosed
US-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha EXELIXIS, INC (US) 2009-03-05 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 (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-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha PIK3CA, PIK3CD, PIK3CB FLT3 371/4885PRKCD 314/4885CAMK2B 1094/4885
US-20090270430-A1 Pyridopyrimidinone Inhibitors of Pl3Kalpha PLK3, PLK4, PLK2 FLT3 339/4885PRKCD 609/4885CAMK2B 1785/4885
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K FLT3 621/4885PRKCD 410/4885CAMK2B 1045/4885
US-20100150827-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER PIK3CA, CDKN1A, PIK3CD FLT3 621/4885PRKCD 190/4885CAMK2B 1656/4885

“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.