Sugi Predict

Sugi Predict / Compounds / SCHEMBL16784356

SCHEMBL16784356

SCHEMBL16784356

C[C@H](CC(=O)N(C)C)c1c(I)ncnc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 2/20 0.43
▸ TLR9 Q9NR96 2/20 0.40
▸ MAP4K4 O95819 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ GPR119 Q8TDV5 6/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 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
SCHEMBL15390832 0.92 KIT (0.41) KITTLR9MAP4K4CNR1CNR2
SCHEMBL15390831 0.92 KIT (0.41) KITTLR9MAP4K4CNR1CNR2
SCHEMBL16755390 0.89 KIT (0.47) KITTLR9MAP4K4CNR1CNR2
SCHEMBL16755392 0.89 KIT (0.47) KITTLR9MAP4K4CNR1CNR2
SCHEMBL16719386 0.89 KIT (0.47) KITTLR9MAP4K4CNR1CNR2
SCHEMBL16755406 0.89 KIT (0.47) KITTLR9MAP4K4CNR1CNR2
SCHEMBL30142877 0.89 KIT (0.47) KITTLR9MAP4K4CNR1CNR2
SCHEMBL17771848 0.88 KIT (0.46) KITTLR9MAP4K4CNR1CNR2
SCHEMBL15390121 0.87 KIT (0.46) KITTLR9MAP4K4CNR1CNR2
SCHEMBL30571385 0.87 KIT (0.46) KITTLR9MAP4K4CNR1CNR2

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 KIT 859/4885TLR9 3676/4885MAP4K4 1790/4885
US-20160318877-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS DPYD, DHPS, TYMP KIT 859/4885TLR9 3676/4885MAP4K4 1790/4885
US-20170247337-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS DPYD, DHPS, TYMP KIT 859/4885TLR9 3676/4885MAP4K4 1790/4885

“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.