SCHEMBL16624822

SCHEMBL16624822

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
AKT1 P31749 5/20 0.32
P2RY12 Q9H244 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
AKT2 P31751 3/20 0.31
AKT3 Q9Y243 3/20 0.31
AKT1S1 Q96B36 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
SCHEMBL16773178 0.86 AKT1 (0.32) AKT1P2RY12ITGB3ITGA2BAKT2
SCHEMBL16773363 0.86 P2RY12 (0.32) AKT1P2RY12ITGB3ITGA2BAKT2
SCHEMBL30776945 0.78 KIT (0.47) HTT
SCHEMBL30776941 0.78 KIT (0.47) HTT
SCHEMBL15390338 0.78 KIT (0.47) HTT
SCHEMBL25265377 0.75 FFAR1 (0.37)
SCHEMBL16626887 0.75 FFAR1 (0.37)
SCHEMBL16773487 0.75 MTNR1B (0.32) AKT1P2RY12AKT2AKT3
SCHEMBL29165557 0.74 MTNR1B (0.37) HTTAKT1P2RY12AKT2AKT3
SCHEMBL29165554 0.74 MTNR1B (0.37) HTTAKT1P2RY12AKT2AKT3

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 1378/4885AKT1 24/4885P2RY12 2502/4885

“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.