SCHEMBL14737757

SCHEMBL14737757

CCCC[Sn](CCCC)(CCCC)c1nn(C)c2ccc(C3CC3)cc12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.34
DRD2 P14416 5/20 0.33
SLC6A4 P31645 1/20 0.33
FABP4 P15090 2/20 0.32
CNR2 P34972 1/20 0.32
ASAH1 Q13510 1/20 0.32
CCR2 P41597 1/20 0.31
KCNH2 Q12809 1/20 0.31
HTR1A P08908 3/20 0.31
DRD1 P21728 3/20 0.31
DRD4 P21917 3/20 0.31
DRD5 P21918 3/20 0.31
DRD3 P35462 3/20 0.31
CASR P41180 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL14738293 0.80 RORA (0.43) CNR2CASR
SCHEMBL14737562 0.79 MAPK8 (0.42)
SCHEMBL14738334 0.77 MAOA (0.42)
SCHEMBL14737223 0.76 RORA (0.41) CNR2CCR2KCNH2
SCHEMBL14737733 0.76 DRD2 (0.39) DRD2SLC6A4DRD3
SCHEMBL14737720 0.76 PGR (0.39) CNR2TLR8
SCHEMBL14737155 0.73 MAPK8 (0.32)
SCHEMBL14738036 0.73 ELANE (0.39) HTR1A
SCHEMBL14737353 0.73 SYK (0.36)
SCHEMBL14752264 0.72 ADORA2A (0.52) FABP4TLR9TLR8TLR7

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-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
CN-104024258-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2014-09-03 CN disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 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 SPHK1 350/4885DRD2 3959/4885SLC6A4 4815/4885

“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.