SCHEMBL11029371

SCHEMBL11029371

CCOC(=O)c1cnn(COCC[Si](C)(C)C)c1-c1cc(Cl)ccc1OC1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 3/20 0.41
DGAT1 O75907 2/20 0.40
HTT P42858 1/20 0.39
POLB P06746 2/20 0.37
TP53 P04637 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL11027100 0.90 JAK2 (0.39) DGAT1IRAK4JAK2JAK1TYK2
SCHEMBL11025264 0.82 TEAD2 (0.42) SMN1; SMN2KMT2ADGAT1POLBTP53
SCHEMBL945609 0.80 CACNB4 (0.37) DGAT1IRAK4JAK2JAK1TYK2
SCHEMBL21493571 0.76 JAK2 (0.38) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL26631684 0.74 DGAT1 (0.41) SMN1; SMN2KMT2ADGAT1LMNAALDH1A1
SCHEMBL11025159 0.73 GRIK1 (0.37) KMT2ADGAT1ALDH1A1JAK2JAK1
SCHEMBL26928468 0.73 LMNA (0.45) SMN1; SMN2KMT2ADGAT1POLBTP53
SCHEMBL267991 0.72 SMN1; SMN2 (0.48) SMN1; SMN2KMT2APOLBLMNAALDH1A1
SCHEMBL940136 0.71 HTR2A (0.53) SMN1; SMN2KMT2AHTTLMNAJAK2
SCHEMBL2703787 0.71 LMNA (0.42) SMN1; SMN2KMT2ALMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2015-06-04 US disclosed
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2015-06-04 US disclosed
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2015-06-04 US disclosed
US-8999998-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2015-04-07 US disclosed
US-8999998-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2015-04-07 US disclosed
US-8999998-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2015-04-07 US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 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 (3 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-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 SMN1; SMN2 1036/4885KMT2A 1561/4885DGAT1 3757/4885
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 SMN1; SMN2 1036/4885KMT2A 1561/4885DGAT1 3757/4885
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 SMN1; SMN2 1036/4885KMT2A 1561/4885DGAT1 3757/4885

“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.