SCHEMBL3400997

SCHEMBL3400997

Cc1nc(Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc2c1ccc(=O)n2C1CCOC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND3 P30281 12/20 0.61
CDK4 P11802 11/20 0.61
CCND1 P24385 11/20 0.61
CCND2 P30279 11/20 0.61
CCNA2 P20248 4/20 0.46
CDK2 P24941 4/20 0.46
CCNK O75909 1/20 0.46
CDK9 P50750 1/20 0.46
CDK6 Q00534 1/20 0.46
CCNB2 O95067 3/20 0.45
CDK1 P06493 3/20 0.45
CCNB1 P14635 3/20 0.45
CCNB3 Q8WWL7 3/20 0.45
JAK2 O60674 3/20 0.45
JAK3 P52333 3/20 0.45
EGFR P00533 1/20 0.45
CCNE2 O96020 3/20 0.44
CCNE1 P24864 3/20 0.44
CCNA1 P78396 3/20 0.44
SYK P43405 1/20 0.43

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
SCHEMBL3722956 0.89 CDK4 (0.50) CCND3CDK4CCND1CCND2CCNA2
SCHEMBL3344142 0.83 CDK4 (0.56) CCND3CDK4CCND1CCND2CCNA2
SCHEMBL3345115 0.80 CDK4 (0.61) CCND3CDK4CCND1CCND2CCNA2
SCHEMBL3344173 0.78 CDK4 (0.68) CCND3CDK4CCND1CCND2CCNA2
SCHEMBL5516551 0.74 CDK4 (0.77) CCND3CDK4CCND1CCND2CCNA2
SCHEMBL190132 0.73 CDK4 (0.62) CCND3CDK4CCND1CCND2CCNA2
SCHEMBL3337716 0.73 CDK4 (0.64) CCND3CDK4CCND1CCND2CCNA2
SCHEMBL3340843 0.73 CDK4 (0.64) CCND3CDK4CCND1CCND2CCNA2
SCHEMBL189859 0.72 CCND3 (0.54) CCND3CDK4CCND1CCND2CCNA2
SCHEMBL3339292 0.72 CDK4 (0.61) CCND3CDK4CCND1CCND2CCNA2

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
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 CCND3 142/4885CDK4 47/4885CCND1 141/4885

“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.