SCHEMBL2274335

SCHEMBL2274335

CC1(C)CCN(c2cccc(-c3cnc4[nH]cc(C(=O)O)c4n3)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.41
JAK3 P52333 5/20 0.41
ATR Q13535 1/20 0.41
CYP2C9 P11712 2/20 0.40
PRKCI P41743 1/20 0.40
MAPK1 P28482 1/20 0.39
CYP2D6 P10635 1/20 0.39
JAK2 O60674 1/20 0.38
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AXL P30530 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
SCHEMBL2277835 0.90 ATR (0.49) SYKJAK3ATRCYP2C9PRKCI
SCHEMBL2282175 0.90 JAK3 (0.51) SYKJAK3CYP2C9PRKCICYP2D6
SCHEMBL2275385 0.89 SYK (0.55) SYKJAK3CYP2C9JAK2
SCHEMBL2278920 0.89 SYK (0.50) SYKCYP2D6
SCHEMBL2280377 0.87 JAK3 (0.40) SYKJAK3CYP2C9PRKCICYP2D6
SCHEMBL2279128 0.86 SYK (0.51) SYKJAK3CYP2D6
SCHEMBL14655483 0.86 ATR (0.44) SYKJAK3ATRCYP2C9PRKCI
SCHEMBL2280571 0.85 JAK3 (0.54) SYKJAK3CYP2C9JAK2
SCHEMBL12372626 0.85 PRKCI (0.37) SYKJAK3ATRPRKCIMAPK1
SCHEMBL2274314 0.84 SYK (0.41) SYKJAK3CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101952295-B Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2013-11-20 CN claimed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US claimed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP claimed
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP claimed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US claimed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed
CN-101952295-B Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2013-11-20 CN disclosed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 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 SYK 1/4885JAK3 7/4885ATR 959/4885

“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.