SCHEMBL16624825

SCHEMBL16624825

CB(O)N1CCN(c2ncnc(Cl)c2[C@H](C)CC(=O)OCc2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.37
AKT1 P31749 6/20 0.36
AKT2 P31751 4/20 0.35
AKT3 Q9Y243 4/20 0.35
CSNK1A1 P48729 1/20 0.35
PDGFRB P09619 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
PABPC1 P11940 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
KMT2A Q03164 1/20 0.34
EIF4H Q15056 1/20 0.34
POLB P06746 1/20 0.33
P2RY12 Q9H244 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KIT P10721 1/20 0.33
AKT1S1 Q96B36 1/20 0.33

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
SCHEMBL25277524 0.88 AKT1 (0.42) SLC15A1AKT1AKT2AKT3CSNK1A1
SCHEMBL25277525 0.88 AKT1 (0.42) SLC15A1AKT1AKT2AKT3CSNK1A1
SCHEMBL16624828 0.86 GABRP (0.34) SLC15A1AKT1AKT2AKT3CSNK1A1
SCHEMBL16624821 0.85 HTT (0.34) AKT1AKT2AKT3PDGFRBP2RY12
SCHEMBL16616178 0.83 MEN1 (0.47) MEN1MAPTKMT2APOLBCNR1
SCHEMBL29165621 0.73 MEN1 (0.49) MEN1MAPTKMT2APOLBCNR1
SCHEMBL29165557 0.72 MTNR1B (0.37) AKT1AKT2AKT3PDGFRBP2RY12
SCHEMBL29165554 0.72 MTNR1B (0.37) AKT1AKT2AKT3PDGFRBP2RY12
SCHEMBL16773677 0.70 AURKA (0.41) AKT1AKT2AKT3MEN1KMT2A
SCHEMBL30776945 0.66 KIT (0.47) MEN1MAPTTSHRKMT2APOLB

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
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

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-20150099881-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS PIK3CA, DHPS, PIK3CD SLC15A1 3501/4885AKT1 24/4885AKT2 19/4885

“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.