SCHEMBL1845830

SCHEMBL1845830

COc1ccccc1CN(C(=O)O)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
TAS2R14 Q9NYV8 4/20 0.48
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ACHE P22303 5/20 0.46
BCHE P06276 4/20 0.46
CHRM2 P08172 2/20 0.45
CHRM1 P11229 1/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL1026318 0.85 AOC3 (0.53) MEN1KMT2ACRHBPCRHR2BCHE
SCHEMBL1362996 0.81 POLB (0.51) MEN1KMT2AHTTL3MBTL1GAA
SCHEMBL2018680 0.80 ALDH1A1 (0.46) MEN1KMT2AHTTL3MBTL1ACHE
SCHEMBL3461483 0.79 AKR1B1 (0.48) MEN1KMT2AHTTL3MBTL1TDP1
SCHEMBL1847131 0.79 ALDH1A1 (0.48) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL5514821 0.78 KMT2A (0.48) MEN1KMT2AHTTL3MBTL1BCHE
SCHEMBL2340705 0.78 MEN1 (0.46) MEN1KMT2AHTTL3MBTL1TDP1
SCHEMBL1799391 0.78 MEN1 (0.46) MEN1KMT2AHTTL3MBTL1TDP1
SCHEMBL1363068 0.77 KMT2A (0.42) MEN1KMT2AHTTL3MBTL1CHRM2
SCHEMBL15471244 0.76 CHRM2 (0.57) MEN1KMT2ACRHBPCRHR2HTT

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-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
EP-2325175-A1 2,4-DIAMINOPYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2011-05-25 EP 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-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND PRKCZ, DCLK1, AAK1 MEN1 4795/4885KMT2A 1333/4885CRHBP 3931/4885

“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.