SCHEMBL3337709

SCHEMBL3337709

CCN1CCN(c2ccc(Nc3nc(C)c4cc(Br)c(=O)n(C5CCCC5)c4n3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.59
CCND1 P24385 19/20 0.59
CDK2 P24941 11/20 0.59
CCNE1 P24864 5/20 0.59
CDK6 Q00534 4/20 0.59
CCNT1 O60563 2/20 0.59
CDK9 P50750 2/20 0.59
CCND2 P30279 11/20 0.59
CCND3 P30281 11/20 0.59
CCNA2 P20248 10/20 0.59
FGFR1 P11362 7/20 0.59
FGFR2 P21802 6/20 0.59
FGFR4 P22455 6/20 0.59
FGFR3 P22607 6/20 0.59
CCNA1 P78396 4/20 0.59
CDK1 P06493 4/20 0.54
CCNB1 P14635 4/20 0.54
CCNB2 O95067 3/20 0.54
CCNE2 O96020 3/20 0.54
CCNB3 Q8WWL7 3/20 0.54

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
SCHEMBL4227763 0.93 CDK4 (0.51) CDK4CCND1CDK2CCNE1CDK6
SCHEMBL4220812 0.89 PIK3CA (0.56) CDK4CCND1CDK2CCNE1CDK6
SCHEMBL3338980 0.88 CDK4 (0.73) CDK4CCND1CDK2CCNE1CCND2
SCHEMBL190014 0.86 KDM4E (0.58) CDK4CCND1CDK2CCNE1CDK6
SCHEMBL3339292 0.85 CDK4 (0.61) CDK4CCND1CDK2CCNE1CDK6
SCHEMBL3339620 0.85 CDK4 (0.55) CDK4CCND1CDK2CCNE1CDK6
SCHEMBL4218283 0.84 CDK4 (0.54) CDK4CCND1CDK2CCNE1CDK6
SCHEMBL188696 0.84 CDK4 (0.47) CDK4CCND1CDK2CCNE1CDK6
SCHEMBL4355205 0.84 KDM4E (0.50) CDK4CCND1CDK2CCNE1CDK6
SCHEMBL189845 0.84 CDK4 (0.55) CDK4CCND1CDK2CCNE1CDK6

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-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
WO-2008127678-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA FOR THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 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 (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 141/4885CDK2 23/4885

“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.