SCHEMBL16624827

SCHEMBL16624827

CCCOC(=O)C[C@@H](C)c1c(Cl)ncnc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MAP4K4 O95819 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CKS1B P61024 2/20 0.37
SKP1 P63208 2/20 0.37
SKP2 Q13309 2/20 0.37
GPR119 Q8TDV5 4/20 0.36
TSHR P16473 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KCNH2 Q12809 1/20 0.35
HTT P42858 2/20 0.35

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
SCHEMBL15390085 0.89 KIT (0.46) KITCNR1CNR2MAP4K4POLB
SCHEMBL15390086 0.89 KIT (0.46) KITCNR1CNR2MAP4K4POLB
SCHEMBL30776941 0.86 KIT (0.47) KITCNR1CNR2MAP4K4POLB
SCHEMBL16616053 0.86 KIT (0.47) KITCNR1CNR2MAP4K4POLB
SCHEMBL15390338 0.86 KIT (0.47) KITCNR1CNR2MAP4K4POLB
SCHEMBL30776945 0.86 KIT (0.47) KITCNR1CNR2MAP4K4POLB
SCHEMBL16624819 0.86 KIT (0.46) KITCNR1CNR2MAP4K4POLB
SCHEMBL16616180 0.86 MEN1 (0.47) KITCNR1CNR2POLBMAPT
SCHEMBL16616178 0.86 MEN1 (0.47) KITCNR1CNR2POLBMAPT
SCHEMBL17875510 0.82 KIT (0.44) KITCNR1CNR2MAP4K4POLB

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
EP-2861583-B1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS ARRAY BIOPHARMA INC (US) 2016-06-29 EP disclosed
US-9309204-B2 Process for making hydroxylated cyclopentylpyrimidine compounds ARRAY BIOPHARMA INC. (US) 2016-04-12 US disclosed
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
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 KIT 1250/4885CNR1 3159/4885CNR2 3683/4885

“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.