SCHEMBL3337716

SCHEMBL3337716

Cc1nc(Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc2c1cc(-c1nccs1)c(=O)n2C1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.64
CCND1 P24385 18/20 0.64
CCND3 P30281 14/20 0.64
CCND2 P30279 13/20 0.64
NUAK1 O60285 2/20 0.47
MARK3 P27448 1/20 0.47
MARK2 Q7KZI7 1/20 0.47
MARK4 Q96L34 1/20 0.47
NUAK2 Q9H093 1/20 0.47
MARK1 Q9P0L2 1/20 0.47
CCNA2 P20248 8/20 0.46
CDK2 P24941 8/20 0.46
CCNA1 P78396 5/20 0.46
CDK6 Q00534 3/20 0.46
FGFR1 P11362 4/20 0.45
FGFR2 P21802 4/20 0.45
FGFR4 P22455 4/20 0.45
FGFR3 P22607 4/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45

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
SCHEMBL3339412 0.91 CDK4 (0.52) CDK4CCND1CCND3CCND2
SCHEMBL4213976 0.88 CDK4 (0.60) CDK4CCND1CCND3CCND2NUAK1
SCHEMBL3340843 0.88 CDK4 (0.64) CDK4CCND1CCND3CCND2NUAK1
SCHEMBL4232772 0.87 CCND3 (0.51) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL3344173 0.87 CDK4 (0.68) CDK4CCND1CCND3CCND2NUAK1
SCHEMBL190132 0.86 CDK4 (0.62) CDK4CCND1CCND3CCND2NUAK1
SCHEMBL3339620 0.85 CDK4 (0.55) CDK4CCND1CCND3CCND2NUAK1
SCHEMBL3341919 0.85 CDK4 (0.62) CDK4CCND1CCND3CCND2NUAK1
Hydrochloric Acid SCHEMBL3344416 0.84 CDK4 (0.62) CDK4CCND1CCND3CCND2NUAK1
SCHEMBL4218296 0.79 PIK3CA (0.48) CDK4CCND1CCND3CCND2NUAK1

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 2 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

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 141/4885CCND3 142/4885

“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.