SCHEMBL16773178

SCHEMBL16773178

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.32
P2RY12 Q9H244 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
AKT2 P31751 2/20 0.31
AKT3 Q9Y243 2/20 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 0.86 HTT (0.36) AKT1P2RY12ITGB3ITGA2BAKT2
SCHEMBL16773363 0.86 P2RY12 (0.32) AKT1P2RY12ITGB3ITGA2BAKT2
SCHEMBL16784372 0.78 KIT (0.47)
SCHEMBL16773487 0.75 MTNR1B (0.32) AKT1P2RY12AKT2AKT3
SCHEMBL16773364 0.72 AURKA (0.41) AKT1P2RY12AKT2AKT3
SCHEMBL16773148 0.72 AURKA (0.30)
SCHEMBL17634059 0.70 AKT1 (0.36) AKT1P2RY12AKT2AKT3
SCHEMBL17634058 0.70 AKT1 (0.36) AKT1P2RY12AKT2AKT3
SCHEMBL16784431 0.68 KIT (0.46)
SCHEMBL18950223 0.66 KIT (0.48)

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 5 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-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 (2 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 AKT1 2391/4885P2RY12 1528/4885ITGB3 4647/4885
US-20160318877-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS DPYD, DHPS, TYMP AKT1 2391/4885P2RY12 1528/4885ITGB3 4647/4885

“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.