SCHEMBL2277835

SCHEMBL2277835

CC1(C)CCN(c2cccc(-c3cnc4[nH]cc(C(=O)Nc5ccccc5)c4n3)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATR Q13535 12/20 0.49
PRKCI P41743 2/20 0.44
PTPN11 Q06124 1/20 0.44
JAK3 P52333 3/20 0.42
SYK P43405 2/20 0.41
JAK2 O60674 1/20 0.40
PRKDC P78527 2/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL2274335 0.90 SYK (0.41) ATRPRKCIJAK3SYKJAK2
SCHEMBL2275385 0.87 SYK (0.55) JAK3SYKJAK2CYP2C9
SCHEMBL2278920 0.87 SYK (0.50) SYK
SCHEMBL2349820 0.86 ATR (0.45) ATRPRKCIJAK3JAK2PRKDC
SCHEMBL2282175 0.86 JAK3 (0.51) PRKCIJAK3SYKCYP2C9
SCHEMBL2280377 0.85 JAK3 (0.40) PRKCIJAK3SYKJAK2CYP2C9
SCHEMBL2279128 0.84 SYK (0.51) JAK3SYK
SCHEMBL2280571 0.83 JAK3 (0.54) JAK3SYKJAK2CYP2C9
SCHEMBL2274314 0.82 SYK (0.41) JAK3SYKCYP2C9
SCHEMBL2277537 0.82 SYK (0.44) JAK3SYKJAK2CYP2C9

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
CN-101952295-B Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2013-11-20 CN claimed
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
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
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
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-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 ATR 959/4885PRKCI 206/4885PTPN11 37/4885

“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.