SCHEMBL3344142

SCHEMBL3344142

Cc1nc(Nc2ccc(N3CCNCC3)cc2)nc2c1ccc(=O)n2C1CCOC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.56
CCND1 P24385 18/20 0.56
CCND2 P30279 15/20 0.56
CCND3 P30281 15/20 0.56
FGFR1 P11362 7/20 0.56
FGFR2 P21802 7/20 0.56
FGFR4 P22455 7/20 0.56
FGFR3 P22607 7/20 0.56
NUAK1 O60285 2/20 0.56
CCNA2 P20248 10/20 0.56
CDK2 P24941 10/20 0.56
CCNA1 P78396 7/20 0.56
CCNE2 O96020 6/20 0.56
CCNE1 P24864 6/20 0.56
CDK6 Q00534 2/20 0.55
CCNB2 O95067 5/20 0.51
CDK1 P06493 5/20 0.51
CCNB1 P14635 5/20 0.51
CCNB3 Q8WWL7 5/20 0.51
PDGFRB P09619 1/20 0.49

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
SCHEMBL3338824 0.88 CDK4 (0.71) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL3722956 0.87 CDK4 (0.50) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL3400997 0.83 CCND3 (0.61) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL3338688 0.78 CDK4 (0.56) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL5263385 0.75 CDK4 (0.79) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL3339292 0.75 CDK4 (0.61) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL4220812 0.75 PIK3CA (0.56) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL14049615 0.74 CDK4 (0.44) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL3338264 0.74 CDK4 (0.53) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL3338980 0.74 CDK4 (0.73) CDK4CCND1CCND2CCND3FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100150827-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER PIK3CA, CDKN1A, PIK3CD CDK4 47/4885CCND1 141/4885CCND2 225/4885

“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.