SCHEMBL14737733

SCHEMBL14737733

CCCC[Sn](CCCC)(CCCC)c1nn(C)c2ccc(C#N)cc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
ICMT O60725 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SCARB1 Q8WTV0 2/20 0.33
SLC6A4 P31645 2/20 0.33
CACNA1H O95180 1/20 0.32
HRH1 P35367 1/20 0.32
HTR6 P50406 1/20 0.32
PTGER4 P35408 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 1/20 0.32
CYP11B2 P19099 1/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CASP3 P42574 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
SCHEMBL14737627 0.90 DRD2 (0.36) DRD2DRD3ICMTMEN1KMT2A
SCHEMBL14737562 0.80 MAPK8 (0.42)
SCHEMBL14738334 0.78 MAOA (0.42) MEN1KMT2AHTR6HSD17B10
SCHEMBL14738293 0.78 RORA (0.43)
SCHEMBL14737223 0.77 RORA (0.41) HRH1HTR6
SCHEMBL14737720 0.76 PGR (0.39)
SCHEMBL14737757 0.76 SPHK1 (0.34) DRD2DRD3SLC6A4
SCHEMBL14737155 0.74 MAPK8 (0.32)
SCHEMBL14738036 0.74 ELANE (0.39) HTR6PTGER4
SCHEMBL14737353 0.74 SYK (0.36) CACNA1HHSD17B10

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-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
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

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 DRD2 3959/4885DRD3 4036/4885ICMT 3849/4885

“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.