SCHEMBL1890079

SCHEMBL1890079

CC1(C(=O)c2c[nH]c3ncc(-c4ccnc(N5CC[S+]([O-])CC5)c4)nc23)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.38
PRKD3 O94806 1/20 0.36
PRKD1 Q15139 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
SYK P43405 6/20 0.36
CYP2C9 P11712 1/20 0.36
DYRK1A Q13627 3/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL1890619 0.91 PRKD3 (0.43) JAK3PRKD3PRKD1PRKD2SYK
SCHEMBL2277494 0.85 SYK (0.42) JAK3SYKCYP2C9CYP2D6KCNH2
SCHEMBL1890842 0.84 JAK3 (0.46) JAK3SYKCYP2C9KCNH2
SCHEMBL2341699 0.82 MAPK1 (0.33) PRKD3PRKD1PRKD2DYRK1A
SCHEMBL3434618 0.80 PRKD1 (0.42) JAK3PRKD3PRKD1PRKD2SYK
SCHEMBL3397872 0.80 SYK (0.39) JAK3SYKCYP2C9CYP2D6KCNH2
SCHEMBL1891547 0.79 JAK3 (0.42) JAK3SYKCYP2C9KCNH2
SCHEMBL2277416 0.78 MAP4K1 (0.44) JAK3SYKCYP2C9KCNH2
SCHEMBL1895775 0.78 HPGD (0.45) JAK3SYK
SCHEMBL2275354 0.77 JAK3 (0.40) JAK3SYKCYP2C9KCNH2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US claimed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US claimed
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
WO-2009106442-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 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-20090215750-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 JAK3 7/4885PRKD3 191/4885PRKD1 254/4885

“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.