SCHEMBL14738488

SCHEMBL14738488

CCCC[Sn](CCCC)(CCCC)c1nn(C)c2cccnc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.35
TLR8 Q9NR97 5/20 0.33
NAMPT P43490 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
SSTR4 P31391 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
GRM2 Q14416 1/20 0.31
SLC9A1 P19634 1/20 0.31

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
SCHEMBL14737720 0.78 PGR (0.39) TLR8CNR1CNR2SLC9A1
SCHEMBL28545129 0.77 PDE4A (0.41) NAMPTCNR1CNR2PDE4APDE4B
SCHEMBL30692827 0.77 SSTR4 (0.36) GRM4NAMPTSSTR4
SCHEMBL21052298 0.77 SSTR4 (0.36) GRM4NAMPTSSTR4
SCHEMBL20357542 0.74 PDE10A (0.36) TLR8CNR1CNR2PDE4APDE4B
SCHEMBL27979070 0.73 MEN1 (0.38) TLR8CNR1CNR2SSTR4GRM2
SCHEMBL27978898 0.73 DRD3 (0.35) TLR8CNR1CNR2
SCHEMBL27978899 0.72 BRD9 (0.34) TLR8GRM2SLC9A1
SCHEMBL29382435 0.72 CYP2C9 (0.40) TLR8TLR7
SCHEMBL729066 0.72 CYP2C9 (0.40) TLR8TLR7

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 3 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
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 GRM4 4441/4885TLR8 1424/4885NAMPT 2997/4885

“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.