SCHEMBL3341176

SCHEMBL3341176

Cc1nc(Nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc2c1cc(Br)c(=O)n2C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.55
CCND1 P24385 2/20 0.55
CCND2 P30279 1/20 0.55
CCND3 P30281 1/20 0.55
IGF1R P08069 1/20 0.53
JAK3 P52333 14/20 0.49
PTK2 Q05397 14/20 0.49
JAK2 O60674 13/20 0.49
PIK3CA P42336 2/20 0.46
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
NAMPT P43490 1/20 0.44

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
SCHEMBL3344173 0.90 CDK4 (0.68) CDK4CCND1CCND2CCND3JAK3
SCHEMBL3339412 0.87 CDK4 (0.52) CDK4CCND1CCND2CCND3IGF1R
SCHEMBL3335910 0.81 CDK4 (0.55) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL189888 0.80 PIK3CA (0.55) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL29508813 0.79 CDK4 (0.61) CDK4CCND1CCND2CCND3IGF1R
SCHEMBL3337716 0.77 CDK4 (0.64) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL189859 0.77 CCND3 (0.54) CDK4CCND1CCND2CCND3IGF1R
SCHEMBL3345115 0.76 CDK4 (0.61) CDK4CCND1CCND2CCND3IGF1R
SCHEMBL16248284 0.76 CDK4 (0.61) CDK4CCND1CCND2CCND3JAK3
SCHEMBL190132 0.76 CDK4 (0.62) CDK4CCND1CCND2CCND3PIK3CA

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 141/4885CCND2 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.