SCHEMBL14738490

SCHEMBL14738490

FC(F)Oc1ccc2[nH]nc(I)c2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.40
SYK P43405 1/20 0.39
LRRK2 Q5S007 9/20 0.36
TTK P33981 1/20 0.35
DYRK1A Q13627 4/20 0.35
GSK3B P49841 3/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
KDR P35968 1/20 0.34
ETV6 P41212 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL16011905 0.84 LRRK2 (0.47) LRRK2
SCHEMBL14752404 0.81 SYK (0.41) GRM4SYKLRRK2TTKDYRK1A
SCHEMBL14737593 0.81 TRPA1 (0.46) GSK3BKDM4E
SCHEMBL29923833 0.78 ALDH1A1 (0.53) LRRK2TTKDYRK1AGSK3BPRKAG1
SCHEMBL5952020 0.78 ALDH1A1 (0.53) LRRK2TTKDYRK1AGSK3BPRKAG1
SCHEMBL492289 0.77 PRKAG1 (0.59) SYKDYRK1AGSK3BCLK2CLK3
SCHEMBL14751301 0.77 TTK (0.42) GRM4SYKLRRK2TTKDYRK1A
SCHEMBL27688753 0.75 HTR1D (0.45) TTKFGFR1PRKAG1PRKAA1PRKAB1
SCHEMBL16023544 0.75 TTK (0.43) LRRK2TTKPRKAG1PRKAA1PRKAB1
SCHEMBL5953065 0.74 TTK (0.62) LRRK2TTKKDM4E

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 10 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-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
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US 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
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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 4441/4885SYK 1/4885LRRK2 1611/4885

“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.