SCHEMBL14738285

SCHEMBL14738285

O=CNCc1ncc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.37
MAPK1 P28482 1/20 0.35
ADORA2A P29274 1/20 0.35
SLC40A1 Q9NP59 4/20 0.34
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 1/20 0.33
PDE7B Q9NP56 1/20 0.33
KLKB1 P03952 1/20 0.32
HTR2A P28223 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
SCHEMBL22230303 0.83 ADH1B (0.32) ADH1BADH1CADH1AADH7
SCHEMBL1395992 0.76 AGBL2 (0.40) AGBL2MAPK1ADORA2A
Hydrochloric Acid SCHEMBL30379591 0.74 AGBL2 (0.39) AGBL2MAPK1ADORA2ASLC40A1PDE7B
SCHEMBL29016835 0.73 ADORA2A (0.38) AGBL2MAPK1ADORA2ASLC40A1PDE7B
SCHEMBL22326459 0.71 KDM1A (0.46) MAPK1ADORA2ASLC40A1ADH1BADH1C
SCHEMBL23774880 0.71 KDM1A (0.43) MAPK1ADORA2ASLC40A1PDE7B
SCHEMBL29016838 0.71 AGBL2 (0.44) AGBL2MAPK1ADORA2ASLC40A1KLKB1
SCHEMBL17574575 0.71 ADH1B (0.39) ADH1BADH1CADH1AADH7
SCHEMBL29475250 0.69 AGBL2 (0.41) AGBL2ADORA2A
SCHEMBL30519756 0.69 AGBL2 (0.41) AGBL2ADORA2A

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 12 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
CN-104024258-B Pyrrolopyrazine kinase inhibitors 霍夫曼-拉罗奇有限公司 2017-02-15 CN 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
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 AGBL2 1716/4885MAPK1 233/4885ADORA2A 4443/4885

“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.