SCHEMBL12372234

SCHEMBL12372234

COC1CCN(c2cccc(-c3cnc4[nH]cc(I)c4n3)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.39
LRRK2 Q5S007 2/20 0.39
ADORA2A P29274 1/20 0.38
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
JAK3 P52333 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
USP30 Q70CQ3 2/20 0.35
MAPK1 P28482 3/20 0.35
IDH1 O75874 2/20 0.35
PIK3CD O00329 1/20 0.35
NEK2 P51955 1/20 0.34
SYK P43405 1/20 0.34
NTSR1 P30989 3/20 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
SCHEMBL3061667 0.85 PRKAB2 (0.43) MAP4K1ADORA2AJAK3IDH1NEK2
SCHEMBL1892513 0.83 JAK3 (0.51) ADORA2AJAK3IDH1SYK
SCHEMBL2275136 0.82 JAK3 (0.49) JAK3SYK
SCHEMBL12372228 0.81 MAPK1 (0.48) ADORA2AJAK3MAPK1
SCHEMBL3396539 0.81 JAK3 (0.36) MAP4K1LRRK2ADORA2ACDC7DBF4
SCHEMBL2362648 0.80 JAK3 (0.36) MAP4K1LRRK2ADORA2ACDC7DBF4
SCHEMBL2277741 0.79 JAK3 (0.52) JAK3SYK
SCHEMBL2349156 0.77 JAK3 (0.39) MAP4K1ADORA2AJAK3SYK
SCHEMBL12372626 0.77 PRKCI (0.37) MAP4K1LRRK2JAK3MAPK1SYK
SCHEMBL2274966 0.75 JAK3 (0.52) JAK3MAPK1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAP4K1 462/4885LRRK2 1551/4885ADORA2A 4090/4885

“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.