SCHEMBL2277409

SCHEMBL2277409

COC(=O)NCC1(C)CCNC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
SMYD3 Q9H7B4 1/20 0.36
EPHX1 P07099 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2274273 0.84 HCRTR2 (0.41) TSHRSMYD3EPHX1KDM4EKMT2A
SCHEMBL6672812 0.84 HCRTR2 (0.41) TSHRSMYD3EPHX1KDM4EKMT2A
SCHEMBL30121548 0.84 HCRTR2 (0.41) TSHRSMYD3EPHX1KDM4EKMT2A
SCHEMBL3713521 0.82 SMYD3 (0.37) SMYD3KDM4EKMT2A
SCHEMBL2279016 0.82 OPRM1 (0.41) TSHRSMYD3KDM4EKMT2A
SCHEMBL16365228 0.79 TSHR (0.35) TSHRSMYD3EPHX1SLC6A2SLC6A4
SCHEMBL23751101 0.75 HCRTR2 (0.40) TSHREPHX1KDM4EKMT2A
SCHEMBL21564539 0.74 CHRM1 (0.38) TSHRSMYD3EPHX1KDM4EKMT2A
SCHEMBL14919408 0.74 IRAK4 (0.33) SMYD3HSD17B10
SCHEMBL12070264 0.73 HCRTR2 (0.43) TSHRSMYD3EPHX1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 TSHR 1966/4885SMYD3 3203/4885EPHX1 2865/4885

“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.