SCHEMBL2279219

SCHEMBL2279219

CC(C)(C)CC(=O)c1c[nH]c2ncc(-c3cccc(N4CCOCC4)c3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.48
PRKCA P17252 1/20 0.43
PRKCQ Q04759 1/20 0.43
HDAC1 Q13547 2/20 0.42
KDM1A O60341 1/20 0.42
JAK3 P52333 3/20 0.42
KIT P10721 1/20 0.41
PLOD2 O00469 2/20 0.41
PLOD3 O60568 2/20 0.41
PLOD1 Q02809 2/20 0.41
BRAF P15056 1/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
SYK P43405 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.39
TRPV3 Q8NET8 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
SCHEMBL2281146 0.92 JAK3 (0.44) ATRJAK3KITSYKCYP2C9
SCHEMBL2275402 0.88 JAK3 (0.53) ATRPRKCAPRKCQHDAC1KDM1A
SCHEMBL2280862 0.86 PARP1 (0.46) JAK3KITSYKCYP2C9KCNH2
SCHEMBL2276979 0.84 ATR (0.46) ATRPRKCAPRKCQHDAC1KDM1A
SCHEMBL3394310 0.81 ATR (0.47) ATRPRKCAPRKCQHDAC1KDM1A
SCHEMBL2282052 0.81 ATR (0.47) ATRPRKCAPRKCQHDAC1KDM1A
SCHEMBL2275100 0.81 ATR (0.47) ATRPRKCAPRKCQHDAC1KDM1A
SCHEMBL2344634 0.80 JAK3 (0.41) ATRJAK3KITSYKCYP2C9
SCHEMBL2278709 0.79 JAK3 (0.55) ATRJAK3KITSYKCYP2C9
SCHEMBL2278520 0.79 JAK3 (0.55) ATRJAK3SYKCYP2C9KCNH2

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 10 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

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 959/4885PRKCA 291/4885PRKCQ 118/4885

“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.