SCHEMBL14737847

SCHEMBL14737847

CC(C)(C)OC(=O)NCC1(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.56
NPFFR1 Q9GZQ6 1/20 0.50
NPFFR2 Q9Y5X5 1/20 0.50
CTSS P25774 2/20 0.48
CTSL P07711 2/20 0.48
CTSB P07858 1/20 0.48
IDO1 P14902 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
NTSR1 P30989 1/20 0.43
PPARA Q07869 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL2722714 0.95 SYK (0.54) SYKNPFFR1NPFFR2CTSSCTSL
SCHEMBL14014442 0.95 SYK (0.53) SYKNPFFR1NPFFR2CTSSCTSL
SCHEMBL2722985 0.94 CTSL (0.54) SYKNPFFR1NPFFR2CTSSCTSL
SCHEMBL4549859 0.90 SYK (0.51) SYKNPFFR1NPFFR2CTSSCTSL
SCHEMBL15585054 0.87 SYK (0.48) SYKNPFFR1NPFFR2CTSSCTSL
SCHEMBL18342224 0.86 SYK (0.50) SYKNPFFR1NPFFR2CTSSCTSL
SCHEMBL25568624 0.84 SYK (0.50) SYKNPFFR1NPFFR2CTSSCTSL
SCHEMBL31454371 0.83 SYK (0.53) SYKCTSSCTSLCTSBIDO1
SCHEMBL18534902 0.83 CTSL (0.50) CTSSCTSLCTSBCA12CA1
SCHEMBL14014439 0.82 MAPT (0.52) SYKIDO1MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 SYK 1/4885NPFFR1 873/4885NPFFR2 937/4885

“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.