Sugi Predict

Sugi Predict / Compounds / SCHEMBL2279135

SCHEMBL2279135

SCHEMBL2279135

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(N4CCN(S(C)(=O)=O)CC4)c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.51
▸ TTK P33981 2/20 0.41
▸ POLB P06746 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SYK P43405 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ BTK Q06187 1/20 0.37
▸ ITK Q08881 1/20 0.37

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
SCHEMBL2277142 0.90 JAK3 (0.51) JAK3POLBSYK
SCHEMBL2278709 0.89 JAK3 (0.55) JAK3CYP2C9MAPK1SYKCYP2D6
SCHEMBL2278520 0.89 JAK3 (0.55) JAK3CYP2C9MAPK1SYKCYP2D6
SCHEMBL2281125 0.88 JAK3 (0.54) JAK3CYP2C9MAPK1SYKCYP2D6
SCHEMBL2280031 0.87 JAK3 (0.52) JAK3USP2MAPK1SMN1; SMN2HSD17B10
SCHEMBL2273575 0.87 JAK3 (0.54) JAK3SYKPRKCI
SCHEMBL2275402 0.86 JAK3 (0.53) JAK3CYP2C9SYK
SCHEMBL2279622 0.86 JAK3 (0.55) JAK3MAPK1SYKCYP2D6PRKCI
SCHEMBL2279264 0.85 JAK3 (0.52) JAK3MAPK1SYKCYP2D6PRKCI
SCHEMBL2275848 0.85 JAK3 (0.50) JAK3POLBSYKCYP2D6PRKCI

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-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 — — EP claimed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 — — US claimed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 — — US claimed
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 — — EP disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 — — US disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 — — US disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 — — US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 — — US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 — — US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 — — US disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 — — WO 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 JAK3 7/4885TTK 541/4885POLB 1500/4885

“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.