SCHEMBL14737848

SCHEMBL14737848

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 13/20 0.43
MAPK1 P28482 2/20 0.39
MAPK6 Q16659 2/20 0.39
MAPKAPK2 P49137 1/20 0.39
MAPKAPK3 Q16644 1/20 0.39
GSK3B P49841 1/20 0.38
ITK Q08881 3/20 0.38
MAP2K7 O14733 1/20 0.37
HTR2A P28223 2/20 0.37
GHSR Q92847 1/20 0.36

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) MAP2K4MAPK1MAPK6MAPKAPK2MAPKAPK3
SCHEMBL14737185 0.83 GSK3B (0.47) MAP2K4GSK3B
SCHEMBL28358722 0.79 KDM4E (0.42) MAPK1
SCHEMBL14737308 0.77
SCHEMBL30107987 0.76 CA12 (0.34) GSK3B
SCHEMBL14737384 0.71 TTK (0.36) GHSR
SCHEMBL14738255 0.70 ICMT (0.38) MAPK1HTR2AGHSR
SCHEMBL5677771 0.70 MAP2K4 (0.51) MAP2K4MAPK1MAPK6MAPKAPK2MAPKAPK3
SCHEMBL14737179 0.69 TRPA1 (0.31)
SCHEMBL14738425 0.68 TSHR (0.38) MAPK1HTR2A

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 MAP2K4 772/4885MAPK1 233/4885MAPK6 481/4885

“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.