SCHEMBL14737221

SCHEMBL14737221

Cn1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)c2cc(S(C)(=O)=O)ccc21

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 17/20 0.57
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 1/20 0.49
JAK2 O60674 3/20 0.48
JAK1 P23458 3/20 0.48
JAK3 P52333 3/20 0.48
KCNH2 Q12809 1/20 0.46
TYK2 P29597 1/20 0.43

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
SCHEMBL14752846 0.92 SYK (0.56) SYKCYP2D6CYP2C9JAK2JAK1
SCHEMBL14737873 0.88 SYK (0.74) SYKCYP2D6CYP2C9KCNH2
SCHEMBL14743763 0.86 SYK (0.61) SYKCYP2D6CYP2C9JAK2JAK1
SCHEMBL14737556 0.85 SYK (0.67) SYKCYP2D6CYP2C9JAK2JAK1
SCHEMBL14737771 0.84 SYK (0.65) SYKCYP2D6CYP2C9JAK2JAK1
SCHEMBL14738355 0.83 JAK2 (0.60) SYKCYP2D6CYP2C9JAK2JAK1
SCHEMBL14737399 0.83 SYK (0.59) SYKCYP2D6CYP2C9JAK2JAK1
SCHEMBL14738162 0.82 JAK2 (0.57) SYKCYP2D6CYP2C9JAK2JAK1
SCHEMBL14737999 0.82 SYK (0.78) SYKCYP2D6CYP2C9JAK2JAK1
SCHEMBL14737226 0.81 SYK (0.80) SYKCYP2D6CYP2C9JAK2JAK1

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
US-8853191-B2 Stanol composition and the use thereof RAISIO NUTRITION LTD. (FI) 2014-10-07 US 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 SYK 1/4885CYP2D6 2796/4885CYP2C9 3710/4885

“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.