SCHEMBL14737889

SCHEMBL14737889

Cn1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)c2ccc(C#N)cc21

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.66
JAK1 P23458 10/20 0.66
JAK3 P52333 9/20 0.66
SYK P43405 10/20 0.59
CYP2D6 P10635 1/20 0.55
TYK2 P29597 1/20 0.54
CYP2C9 P11712 1/20 0.53

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
SCHEMBL14738754 0.92 JAK2 (0.65) JAK2JAK1JAK3SYKCYP2D6
SCHEMBL14738676 0.88 SYK (0.77) JAK2JAK1JAK3SYKCYP2D6
SCHEMBL14737679 0.86 SYK (0.67) JAK2JAK1JAK3SYKCYP2D6
SCHEMBL14737376 0.85 SYK (0.78) JAK2JAK1JAK3SYKCYP2D6
SCHEMBL14737368 0.85 SYK (0.78) JAK2JAK1JAK3SYKCYP2D6
SCHEMBL14737952 0.85 SYK (0.78) JAK2JAK1JAK3SYKCYP2D6
SCHEMBL14738731 0.84 SYK (0.60) JAK2JAK1JAK3SYKCYP2D6
SCHEMBL14738037 0.84 JAK2 (0.63) JAK2JAK1JAK3SYKCYP2D6
SCHEMBL14737478 0.84 SYK (0.65) JAK2JAK1JAK3SYKCYP2D6
SCHEMBL14738355 0.83 JAK2 (0.60) JAK2JAK1JAK3SYKCYP2D6

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 7 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 claimed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US claimed
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 JAK2 5/4885JAK1 3/4885JAK3 10/4885

“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.