SCHEMBL16773487

SCHEMBL16773487

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

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.32
PDGFRB P09619 10/20 0.32
PDGFRA P16234 4/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
AKT3 Q9Y243 1/20 0.32
P2RY12 Q9H244 1/20 0.31
KIT P10721 3/20 0.31
FLT3 P36888 3/20 0.31
ACHE P22303 1/20 0.30
BACE1 P56817 1/20 0.30
CSF1R P07333 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
SCHEMBL16773363 0.88 P2RY12 (0.32) AKT1AKT2AKT3P2RY12
SCHEMBL16624821 0.87 HTT (0.34) MTNR1BPDGFRBPDGFRAAKT1AKT2
SCHEMBL16773595 0.87 PDGFRB (0.33) MTNR1BPDGFRBPDGFRAAKT1AKT2
SCHEMBL16773148 0.86 AURKA (0.30)
SCHEMBL28339346 0.85 MTNR1B (0.37) MTNR1BPDGFRBPDGFRAAKT1AKT2
SCHEMBL28339347 0.85 MTNR1B (0.37) MTNR1BPDGFRBPDGFRAAKT1AKT2
SCHEMBL15389848 0.84 ENPP1 (0.38) MTNR1BAKT1
SCHEMBL30571385 0.81 KIT (0.46) KITACHE
SCHEMBL16719642 0.81 KIT (0.46) KITACHE
SCHEMBL15390121 0.81 KIT (0.46) KITACHE

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 6 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-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-20150152067-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS GENENTECH, INC. 2015-06-04 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 (3 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 MTNR1B 3884/4885PDGFRB 1508/4885PDGFRA 1042/4885
US-20160318877-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS DPYD, DHPS, TYMP MTNR1B 3884/4885PDGFRB 1508/4885PDGFRA 1042/4885
US-20170247337-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS DPYD, DHPS, TYMP MTNR1B 3884/4885PDGFRB 1508/4885PDGFRA 1042/4885

“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.