SCHEMBL2274676

SCHEMBL2274676

CC1CCCC1(C)C(=O)c1c[nH]c2ncc(-c3cccc(N4CCCC4)c3)nc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.39
JAK2 O60674 4/20 0.37
JAK1 P23458 4/20 0.37
SYK P43405 5/20 0.36
CYP2C9 P11712 1/20 0.36
PRKCI P41743 1/20 0.36
KIT P10721 1/20 0.36
ATR Q13535 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK1 P28482 1/20 0.35
CHEK1 O14757 1/20 0.34

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
SCHEMBL2274670 1.00 JAK3 (0.39) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL12372510 1.00 JAK3 (0.39) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL2274674 1.00 JAK3 (0.39) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL2275142 0.86 JAK3 (0.38) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL2278185 0.86 JAK3 (0.40) JAK3SYKCYP2C9PRKCIKIT
SCHEMBL2275354 0.85 JAK3 (0.40) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL2275232 0.85 JAK3 (0.40) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL2361899 0.82 JAK3 (0.39) JAK3SYKCYP2C9PRKCIKIT
SCHEMBL14655483 0.81 ATR (0.44) JAK3JAK2SYKCYP2C9PRKCI
SCHEMBL2277366 0.79 PRKCI (0.46) JAK3JAK2SYKCYP2C9PRKCI

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 3 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 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

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 7/4885JAK2 4/4885JAK1 5/4885

“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.