SCHEMBL3340869

SCHEMBL3340869

Cc1nc(S(C)(=O)=O)nc2c1ccc(=O)n2C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 12/20 0.44
CDK2 P24941 11/20 0.44
CCNE1 P24864 10/20 0.44
CDK6 Q00534 9/20 0.44
CDK4 P11802 6/20 0.44
CCNT1 O60563 3/20 0.44
CDK9 P50750 3/20 0.44
PIK3CA P42336 5/20 0.39
CCND2 P30279 3/20 0.39
CCND3 P30281 3/20 0.39
FGFR1 P11362 1/20 0.39
CCNA2 P20248 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
HCAR1 Q9BXC0 1/20 0.38

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
SCHEMBL3341054 0.84 PIK3CA (0.47) CCND1CDK2CCNE1CDK6CDK4
SCHEMBL8210294 0.80 PIK3CA (0.55) PIK3CA
SCHEMBL29640940 0.79 CCND1 (0.60) CCND1CDK2CCNE1CDK6CDK4
SCHEMBL4220929 0.79 MEN1 (0.41) CCND1CDK2CCNE1CDK6CDK4
SCHEMBL19857389 0.79 CCND1 (0.60) CCND1CDK2CCNE1CDK6CDK4
SCHEMBL1064571 0.79 CCND1 (0.37) CCND1CDK2CCNE1CDK6CDK4
SCHEMBL3338750 0.79 PIK3CA (0.58) PIK3CA
SCHEMBL5115244 0.78 MEN1 (0.43) CCND1CDK2CCNE1CDK6CDK4
SCHEMBL3339634 0.78 CDK4 (0.66) CCND1CDK2CCNE1CDK4CCND2
SCHEMBL1898968 0.78 PIK3CA (0.57) CCND1CDK2CCNE1CDK6CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142543-B1 PYRIDO [2, 3-D]PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA FOR THE TREATMENT OF CANCER EXELIXIS INC (US) 2013-05-22 EP disclosed
EP-1931670-B1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K EXELIXIS INC (US) 2012-09-12 EP disclosed
US-8247408-B2 Pyridopyrimidinone inhibitors of PI3Kα for the treatment of cancer EXELIXIS, INC. (US) 2012-08-21 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-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha EXELIXIS, INC (US) 2009-03-05 US disclosed
EP-1931670-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K Exelixis, Inc. (US) 2008-06-18 EP disclosed
WO-2007044698-A1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kα EXELIXIS, INC. (US) 2007-04-19 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-20090062274-A1 Pyridopyrimidinone inhibitors of pi3kalpha PIK3CA, PIK3CD, PIK3CB CCND1 805/4885CDK2 112/4885CCNE1 758/4885
US-20100150827-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER PIK3CA, CDKN1A, PIK3CD CCND1 141/4885CDK2 23/4885CCNE1 171/4885

“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.