SCHEMBL214562

SCHEMBL214562

CC(C)(C)OC(=O)COc1cccc(N)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
HPGD P15428 3/20 0.40
POLB P06746 3/20 0.40
MAPT P10636 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
PTPN1 P18031 1/20 0.36
ACLY P53396 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 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
Hydrochloric Acid SCHEMBL214478 0.98 DDB1 (0.50) DDB1CRBNHPGDPOLBMAPT
SCHEMBL2635721 0.88 ALDH1A1 (0.49) DDB1CRBNHPGDPOLBMAPT
SCHEMBL28297495 0.85 DDB1 (0.46) DDB1CRBNHPGDPOLBMAPT
SCHEMBL30952857 0.83 DDB1 (0.45) DDB1CRBNHPGDPOLBMAPT
SCHEMBL27399394 0.83 DDB1 (0.45) DDB1CRBNHPGDPOLBMAPT
SCHEMBL22656552 0.82 POLB (0.50) DDB1CRBNHPGDPOLBMAPT
SCHEMBL22326014 0.81 ALDH1A1 (0.54) DDB1CRBNPOLBMAPTNPSR1
SCHEMBL20398155 0.81 DDB1 (0.49) DDB1CRBNHPGDPOLBMAPT
SCHEMBL5697619 0.81 DDB1 (0.49) DDB1CRBNHPGDPOLBMAPT
SCHEMBL16112098 0.78 LTA4H (0.45) DDB1CRBNHPGDPOLBMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 DDB1 4476/4885CRBN 423/4885HPGD 3138/4885

“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.