SCHEMBL16624821

SCHEMBL16624821

COC(=O)C[C@@H](C)c1c(Cl)ncnc1N1CCN(B(C)O)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
PDGFRB P09619 11/20 0.33
PDGFRA P16234 6/20 0.33
FLT3 P36888 2/20 0.32
KIT P10721 1/20 0.32
MTNR1B P49286 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
AKT3 Q9Y243 1/20 0.32
ACACB O00763 3/20 0.31
P2RY12 Q9H244 1/20 0.31
RPS6KB1 P23443 1/20 0.31

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
SCHEMBL16624822 0.88 HTT (0.36) HTTAKT1AKT2AKT3P2RY12
SCHEMBL16773595 0.87 PDGFRB (0.33) PDGFRBPDGFRAFLT3KITMTNR1B
SCHEMBL16773487 0.87 MTNR1B (0.32) PDGFRBPDGFRAFLT3KITMTNR1B
SCHEMBL29165557 0.85 MTNR1B (0.37) HTTPDGFRBPDGFRAFLT3KIT
SCHEMBL29165554 0.85 MTNR1B (0.37) HTTPDGFRBPDGFRAFLT3KIT
SCHEMBL16624825 0.85 SLC15A1 (0.37) PDGFRBKITAKT1AKT2AKT3
SCHEMBL15390086 0.81 KIT (0.46) HTTKIT
SCHEMBL15390085 0.81 KIT (0.46) HTTKIT
SCHEMBL1662205 0.77 MAPT (0.37) HTT
SCHEMBL15391066 0.77 MAPT (0.37) HTT

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 HTT 1378/4885PDGFRB 370/4885PDGFRA 279/4885

“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.