SCHEMBL16624824

SCHEMBL16624824

CB(O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.50
AKT2 P31751 20/20 0.50
AKT3 Q9Y243 20/20 0.50
PIK3CA P42336 1/20 0.47
PRKG1 Q13976 1/20 0.47

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
SCHEMBL12194050 0.84 AKT1 (0.53) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL16250566 0.84 AKT1 (0.53) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL16488547 0.82 AKT1 (0.52) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL16488554 0.82 AKT1 (0.52) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL16488551 0.82 AKT1 (0.52) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL3944477 0.81 AKT1 (0.52) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL3131053 0.81 AKT1 (0.52) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL3664890 0.81 AKT1 (0.52) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL3401639 0.81 AKT1 (0.52) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL3122777 0.80 AKT1 (0.50) AKT1AKT2AKT3PIK3CAPRKG1

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
US-9315471-B2 Process of making hydroxylated cyclopentapyrimidine compounds and salts thereof GENETECH, INC. (US) 2016-04-19 US disclosed
US-9309204-B2 Process for making hydroxylated cyclopentylpyrimidine compounds ARRAY BIOPHARMA INC. (US) 2016-04-12 US disclosed
US-20150099881-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS GENETECH, INC. (US) 2015-04-09 US disclosed
US-20150099880-A1 PROCESS OF MAKING HYDROXYLATED CYCLOPENTAPYRIMIDINE COMPOUNDS AND SALTS THEREOF GENETECH, INC. (US) 2015-04-09 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 (2 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-20150099881-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS PIK3CA, DHPS, PIK3CD AKT1 24/4885AKT2 19/4885AKT3 30/4885
US-20150099880-A1 PROCESS OF MAKING HYDROXYLATED CYCLOPENTAPYRIMIDINE COMPOUNDS AND SALTS THEREOF PIK3CA, PIK3CD, PIK3CG AKT1 10/4885AKT2 6/4885AKT3 20/4885

“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.