SCHEMBL14737828

SCHEMBL14737828

CC1(C)CC/C(=C/O)C(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
ALDH1A1 P00352 7/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.34
MAOA P21397 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ABCB11 O95342 1/20 0.32
LMNA P02545 1/20 0.32
NR3C1 P04150 1/20 0.32
TP53 P04637 1/20 0.32
PGR P06401 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MAPK1 P28482 1/20 0.32
AGTR1 P30556 1/20 0.32
PTGS2 P35354 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL17922941 1.00 GAA (0.36) GAAALDH1A1MAPTKDM4EPOLB
SCHEMBL17922940 1.00 GAA (0.36) GAAALDH1A1MAPTKDM4EPOLB
SCHEMBL1567165 0.83 ALDH1A1 (0.35) GAAALDH1A1MAPTKDM4EPOLB
SCHEMBL1567166 0.83 ALDH1A1 (0.35) GAAALDH1A1MAPTKDM4EPOLB
SCHEMBL1567542 0.83 ALDH1A1 (0.35) GAAALDH1A1MAPTKDM4EPOLB
SCHEMBL1567575 0.77 ABCB11 (0.32) ALDH1A1MAPTNPSR1ABCB11LMNA
SCHEMBL1567576 0.77 ABCB11 (0.32) ALDH1A1MAPTNPSR1ABCB11LMNA
SCHEMBL26617731 0.76 MAPT (0.33) GAAALDH1A1MAPTKDM4EMAOA
SCHEMBL26617736 0.76 MAPT (0.33) GAAALDH1A1MAPTKDM4EMAOA
SCHEMBL5464495 0.72 MAOA (0.39) GAAALDH1A1MAPTKDM4EPOLB

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 11 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
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
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 GAA 2745/4885ALDH1A1 3755/4885MAPT 3736/4885

“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.