SCHEMBL3775852

SCHEMBL3775852

CC(C)(C)OC(=O)N1CC(Nc2cc(Cl)nc(N)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
EHMT2 Q96KQ7 1/20 0.43
PIK3CA P42336 3/20 0.41
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
OPRK1 P41145 1/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SSTR4 P31391 1/20 0.38
NR1H2 P55055 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
POLR1A O95602 1/20 0.37

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
SCHEMBL3784088 0.91 ALDH1A1 (0.45) HSP90AA1HSP90AB1PIM1PIM2OPRK1
SCHEMBL3784091 0.91 ALDH1A1 (0.45) HSP90AA1HSP90AB1PIM1PIM2OPRK1
SCHEMBL3774808 0.80 HRH3 (0.48) EHMT2PIM1PIM2DDB1CRBN
SCHEMBL22404953 0.79 EHMT2 (0.45) EHMT2ALDH1A1NPC1MAPTMAPK1
SCHEMBL17315215 0.78 NUDT1 (0.51) HSP90AA1HSP90AB1EHMT2PIK3CAPIM1
SCHEMBL3782969 0.77 KDM4E (0.48) HSP90AA1HSP90AB1LMNAMAPT
SCHEMBL24461349 0.77 SMARCA2 (0.41) EHMT2PIM1PIM2ALDH1A1NPC1
SCHEMBL30552496 0.77 SMARCA2 (0.41) EHMT2PIM1PIM2ALDH1A1NPC1
SCHEMBL1748497 0.77 ALDH1A1 (0.54) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL30329928 0.76 ALDH1A1 (0.53) ALDH1A1NPC1MAPTMAPK1HTT

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-8796297-B2 4-substituted-2-amino-pyrimidine derivatives ABBVIE INC. (US) 2014-08-05 US disclosed
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 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-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES HRH2, HRH4, HRH3 HSP90AA1 3310/4885HSP90AB1 3554/4885EHMT2 2824/4885

“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.