SCHEMBL14737185

SCHEMBL14737185

CCCC[Sn](CCCC)(CCCC)c1n[nH]c2cc(Cl)ccc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.47
TRPA1 O75762 1/20 0.40
MAP2K4 P45985 3/20 0.39
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHEK1 O14757 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAT2A P31153 1/20 0.34
ALOX15 P16050 4/20 0.34
SIRT1 Q96EB6 2/20 0.34
UTS2R Q9UKP6 1/20 0.34
CTSK P43235 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
SCHEMBL14738482 0.84 ITK (0.40) MAP2K4MEN1KMT2AUTS2R
SCHEMBL14737848 0.83 MAP2K4 (0.43) GSK3BMAP2K4
SCHEMBL28358722 0.79 KDM4E (0.42) TP53MEN1KMT2A
SCHEMBL30107987 0.76 CA12 (0.34) GSK3BTRPA1
SCHEMBL14737179 0.75 TRPA1 (0.31) TRPA1
SCHEMBL14744322 0.72 KMT2A (0.40) KMT2A
SCHEMBL14738694 0.70 MAPK8 (0.37) ALOX15
SCHEMBL10271450 0.70 GSK3B (0.51) GSK3BTRPA1MAP2K4TP53SMN1; SMN2
SCHEMBL14737310 0.69 KMO (0.38) GSK3BMAT2A
SCHEMBL14737384 0.69 TTK (0.36)

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 GSK3B 1192/4885TRPA1 4079/4885MAP2K4 772/4885

“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.