SCHEMBL3339412

SCHEMBL3339412

Cc1nc(Nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc2c1cc(-c1nccs1)c(=O)n2C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.52
CCND1 P24385 1/20 0.52
CCND2 P30279 1/20 0.52
CCND3 P30281 1/20 0.52
IGF1R P08069 1/20 0.48
JAK3 P52333 13/20 0.48
PTK2 Q05397 13/20 0.48
JAK2 O60674 12/20 0.48
PIK3CA P42336 5/20 0.45
MTOR P42345 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
SCHEMBL3337716 0.91 CDK4 (0.64) CDK4CCND1CCND2CCND3
SCHEMBL3341176 0.87 CDK4 (0.55) CDK4CCND1CCND2CCND3IGF1R
SCHEMBL3338442 0.84 PIK3CA (0.49) CDK4CCND1CCND2CCND3PIK3CA
Hydrochloric Acid SCHEMBL3345003 0.83 PIK3CA (0.48) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL4232772 0.79 CCND3 (0.51) CDK4CCND1CCND2CCND3IGF1R
SCHEMBL4213976 0.79 CDK4 (0.60) CDK4CCND1CCND2CCND3
SCHEMBL3340843 0.78 CDK4 (0.64) CDK4CCND1CCND2CCND3PIK3CA
SCHEMBL3341919 0.78 CDK4 (0.62) CDK4CCND1CCND2CCND3
SCHEMBL3344173 0.77 CDK4 (0.68) CDK4CCND1CCND2CCND3JAK3
Hydrochloric Acid SCHEMBL3344416 0.77 CDK4 (0.62) CDK4CCND1CCND2CCND3

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 141/4885CCND2 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.