SCHEMBL671902

SCHEMBL671902

CC(C)(C)OC(=O)N1CCN(c2cc(F)c(F)c(C(=O)O)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
GPR119 Q8TDV5 7/20 0.46
PDK2 Q15119 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
PIK3CA P42336 1/20 0.42
NAMPT P43490 1/20 0.42
CHRM4 P08173 1/20 0.42
MEN1 O00255 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41

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
SCHEMBL20140111 0.90 MAPT (0.54) ALDH1A1LMNAMAPTGPR119PDK2
SCHEMBL20046277 0.89 ALDH1A1 (0.47) ALDH1A1LMNAMAPTGPR119PDK2
SCHEMBL30432629 0.89 ALDH1A1 (0.47) ALDH1A1LMNAMAPTGPR119PDK2
SCHEMBL27183715 0.86 MAPT (0.51) ALDH1A1LMNAMAPTGPR119PDK2
SCHEMBL16599993 0.85 MAPT (0.54) ALDH1A1LMNAMAPTGPR119PDK2
SCHEMBL31195528 0.85 MAPT (0.54) ALDH1A1LMNAMAPTGPR119PDK2
SCHEMBL31623073 0.82 MAPT (0.52) ALDH1A1LMNAMAPTGPR119PDK2
SCHEMBL15754287 0.82 ALDH1A1 (0.52) ALDH1A1LMNAMAPTGPR119PDK2
SCHEMBL671635 0.81 LMNA (0.47) ALDH1A1LMNAMAPTGPR119PDK2
SCHEMBL4941010 0.81 LMNA (0.51) ALDH1A1LMNAMAPTGPR119PDK2

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-9040545-B2 Heterocyclyl pyrazolopyrimidine analogues as selective JAK inhibitors CELLZOME LIMITED (GB) 2015-05-26 US disclosed
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 US disclosed
EP-2606050-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS Cellzome Limited (GB) 2013-06-26 EP disclosed
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 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-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 2345/4885LMNA 4624/4885MAPT 4493/4885

“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.