SCHEMBL1353096

SCHEMBL1353096

CC1(C)CCCC/C1=N/O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CASP1 P29466 1/20 0.40
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL1353098 1.00 TSHR (0.40) TSHRCASP1LMNAL3MBTL1GAA
SCHEMBL30001058 0.76 TSHR (0.41) TSHRCASP1LMNAL3MBTL1GAA
SCHEMBL7167365 0.75 TSHR (0.43) TSHRCASP1LMNA
SCHEMBL7167366 0.75 TSHR (0.43) TSHRCASP1LMNA
SCHEMBL25347852 0.74 LMNA (0.35) TSHRCASP1LMNAL3MBTL1GAA
SCHEMBL8432322 0.73 TSHR (0.48) TSHRCASP1LMNAGAAALDH1A1
Cyclohexanone Oxime SCHEMBL9570768 0.71 TSHR (0.52) TSHRCASP1LMNAL3MBTL1GAA
SCHEMBL25347856 0.71 TSHR (0.32) TSHRCASP1LMNAL3MBTL1
SCHEMBL11165836 0.71 TSHR (0.36) TSHRCASP1LMNA
SCHEMBL11459056 0.71 TSHR (0.36) TSHRCASP1LMNA

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
EP-2571881-A1 PYRROLOPYRAZINE DERIVATIVES AS SYK AND JAK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP disclosed
US-8329699-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
WO-2011144584-A1 PYRROLOPYRAZINE DERIVATIVES AS SYK AND JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO disclosed
US-20110288097-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 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-20110288097-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 TSHR 1626/4885CASP1 690/4885LMNA 4866/4885

“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.