SCHEMBL16624820

SCHEMBL16624820

CCCOC(=O)C[C@@H](C)c1c(Cl)ncnc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.35
ALDH1A1 P00352 5/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.34
ENPP1 P22413 1/20 0.33
TOP2A P11388 1/20 0.33
ACACB O00763 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL16624823 0.84 ALDH1A1 (0.35) L3MBTL1ALDH1A1TDP1LMNAACACB
SCHEMBL1662205 0.81 MAPT (0.37) L3MBTL1ALDH1A1LMNANPC1RAB9A
SCHEMBL16624827 0.77 KIT (0.41) ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL25673190 0.76 ALDH1A1 (0.37) ALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL20977931 0.71 SELE (0.34) L3MBTL1ALDH1A1LMNAENPP1SMN1; SMN2
SCHEMBL25600200 0.70 ALDH1A1 (0.43) L3MBTL1ALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL16624814 0.69 SELE (0.35) ALDH1A1LMNAENPP1SMN1; SMN2
SCHEMBL25921193 0.68 ENPP1 (0.38) ALDH1A1LMNAENPP1SMN1; SMN2
SCHEMBL21811524 0.68 NAAA (0.38) L3MBTL1ALDH1A1TDP1LMNANPSR1
SCHEMBL133737 0.67 MMP1 (0.42) ALDH1A1TDP1

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 L3MBTL1 3633/4885ALDH1A1 768/4885TDP1 1157/4885

“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.