SCHEMBL2275232

SCHEMBL2275232

CC1(C(=O)c2c[nH]c3ncc(-c4cccc(N5CCCC5)c4)nc23)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.40
SYK P43405 4/20 0.39
CYP2C9 P11712 1/20 0.39
PRKCI P41743 1/20 0.39
KIT P10721 1/20 0.38
MAPK1 P28482 1/20 0.38
ATR Q13535 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM5B Q9UGL1 1/20 0.37
F10 P00742 1/20 0.37
CAMK2D Q13557 1/20 0.37
GRK6 P43250 1/20 0.37
JAK2 O60674 2/20 0.37
JAK1 P23458 1/20 0.37
POLQ O75417 1/20 0.37
MAP4K1 Q92918 1/20 0.36

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
SCHEMBL2275354 1.00 JAK3 (0.40) JAK3SYKCYP2C9PRKCIKIT
SCHEMBL2278185 0.99 JAK3 (0.40) JAK3SYKCYP2C9PRKCIKIT
SCHEMBL2277366 0.94 PRKCI (0.46) JAK3SYKCYP2C9PRKCIF10
SCHEMBL2275100 0.93 ATR (0.47) JAK3SYKKITATRKDM5B
SCHEMBL2346340 0.93 CAMK2D (0.39) SYKPRKCIKITMAPK1ATR
SCHEMBL2274883 0.92 FLT3 (0.43) JAK3SYKCYP2C9PRKCIMAPK1
SCHEMBL2282052 0.92 ATR (0.47) JAK3SYKKITATRKDM5B
SCHEMBL2275246 0.91 CYP2C9 (0.40) JAK3SYKCYP2C9PRKCIMAPK1
SCHEMBL2276821 0.91 PRKCI (0.37) JAK3SYKCYP2C9PRKCIMAPK1
SCHEMBL2277416 0.90 MAP4K1 (0.44) JAK3SYKCYP2C9MAPK1KCNH2

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 16 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
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-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
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP 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
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 7/4885SYK 1/4885CYP2C9 3511/4885

“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.