SCHEMBL16624829

SCHEMBL16624829

CB(O)N1CCN(c2ncnc3c2[C@H](C)CC3=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 4/20 0.33
AKT1 P31749 3/20 0.33
AKT2 P31751 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL12194049 0.83 HRH4 (0.41) CYP1A2CYP3A4LMNAHTTSMN1; SMN2
SCHEMBL16488552 0.81 JAK2 (0.39) AKT3AKT1AKT2CYP1A2CYP3A4
SCHEMBL926142 0.81 AKT1 (0.39) AKT3AKT1AKT2CYP1A2CYP3A4
SCHEMBL17634051 0.81 AKT1 (0.39) AKT3AKT1AKT2CYP1A2CYP3A4
SCHEMBL3939523 0.80 AKT1 (0.32) AKT3AKT1AKT2CYP1A2CYP3A4
SCHEMBL17629230 0.79 HTR2C (0.40) CYP1A2CYP3A4LMNAHTT
SCHEMBL17629229 0.79 HTR2C (0.40) CYP1A2CYP3A4LMNAHTT
SCHEMBL192015 0.76 KIT (0.48) LMNA
SCHEMBL192014 0.76 KIT (0.48) LMNA
SCHEMBL16624824 0.73 AKT1 (0.50) AKT3AKT1AKT2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790190-B2 Process for making hydroxylated cyclopentylpyrimidine compounds ARRAY BIOPHARMA INC. (US) 2017-10-17 US disclosed
US-20170247338-A1 PROCESS FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2017-08-31 US disclosed
US-20170247337-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC. (US) 2017-08-31 US disclosed
US-9676730-B2 Process for making hydroxylated cyclopentylpyrimidine compounds ARRAY BIOPHARMA INC. (US) 2017-06-13 US disclosed
US-20160318877-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC. (US) 2016-11-03 US disclosed
US-9416110-B2 Process for making hydroxylated cyclopentylpyrimidine compounds ARRAY BIOPHARMA INC. (US) 2016-08-16 US disclosed
US-9309204-B2 Process for making hydroxylated cyclopentylpyrimidine compounds ARRAY BIOPHARMA INC. (US) 2016-04-12 US disclosed
US-20150152067-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS GENENTECH, INC. 2015-06-04 US disclosed
US-20150099881-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS 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 (5 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-20150152067-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS DPYD, DHPS, TYMP AKT3 3161/4885AKT1 2391/4885AKT2 2561/4885
US-20150099881-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS PIK3CA, DHPS, PIK3CD AKT3 30/4885AKT1 24/4885AKT2 19/4885
US-20170247338-A1 PROCESS FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS PAK5, CDK5, PPIP5K2 AKT3 193/4885AKT1 114/4885AKT2 96/4885
US-20160318877-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS DPYD, DHPS, TYMP AKT3 3161/4885AKT1 2391/4885AKT2 2561/4885
US-20170247337-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS DPYD, DHPS, TYMP AKT3 3161/4885AKT1 2391/4885AKT2 2561/4885

“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.