SCHEMBL215559

SCHEMBL215559

CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]c(N)nc3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAP4K4 O95819 1/20 0.47
PDK2 Q15119 1/20 0.46
KIT P10721 1/20 0.45
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
NAMPT P43490 2/20 0.44
GPR119 Q8TDV5 4/20 0.44
PARP1 P09874 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIK3CA P42336 2/20 0.43
ALK Q9UM73 1/20 0.43
KCNH2 Q12809 1/20 0.43
PDE3B Q13370 1/20 0.43

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
SCHEMBL8059756 0.87 MAPT (0.49) MAPTALDH1A1LMNAMAP4K4PDK2
SCHEMBL215889 0.82 CYP3A4 (0.43) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6498317 0.81 OPRL1 (0.47) MAP4K4KITSMARCA2SMARCA4PBRM1
SCHEMBL6498311 0.81 MAP4K4 (0.44) MAP4K4KITSMARCA2SMARCA4PBRM1
SCHEMBL3700178 0.80 NAMPT (0.55) MAPTALDH1A1LMNAMAP4K4KIT
SCHEMBL214340 0.80 CHEK2 (0.58) GPR119ALK
Bromide SCHEMBL216085 0.79 CHEK2 (0.57) GPR119ALK
SCHEMBL213144 0.79 PDE3B (0.50) GPR119PDE3BPDE3A
SCHEMBL16270619 0.78 MAPT (0.54) MAPTALDH1A1LMNAPDK2NAMPT
SCHEMBL30729125 0.77 CYP3A4 (0.64) MAPTALDH1A1LMNAPDK2MEN1

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 7 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-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
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
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 MAPT 2138/4885ALDH1A1 4295/4885LMNA 4821/4885

“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.