SCHEMBL12372272

SCHEMBL12372272

COc1ccc(-c2cnc3[nH]cc(C(=O)C4CCNC4)c3n2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.58
CYP2C9 P11712 1/20 0.51
STK17B O94768 4/20 0.48
STK17A Q9UEE5 1/20 0.48
MAP4K1 Q92918 1/20 0.47
MAP3K11 Q16584 5/20 0.46
AAK1 Q2M2I8 4/20 0.46
NEK2 P51955 1/20 0.44
JAK2 O60674 2/20 0.44
JAK1 P23458 2/20 0.44
JAK3 P52333 2/20 0.44
PDE4B Q07343 1/20 0.40
KIT P10721 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL2280507 0.90 SYK (0.63) SYKCYP2C9MAP3K11NEK2JAK2
SCHEMBL2275268 0.86 SYK (0.61) SYKCYP2C9STK17BSTK17AMAP4K1
Hydrochloric Acid SCHEMBL2275144 0.85 SYK (0.60) SYKCYP2C9STK17BSTK17AMAP4K1
Trifluoroacetic Acid SCHEMBL2278432 0.85 SYK (0.57) SYKCYP2C9MAP3K11NEK2JAK2
SCHEMBL2279898 0.84 SYK (0.62) SYKCYP2C9STK17BSTK17AMAP4K1
SCHEMBL2276549 0.81 SYK (0.69) SYKCYP2C9STK17BSTK17AMAP4K1
SCHEMBL2282760 0.81 SYK (0.69) SYKCYP2C9MAP4K1MAP3K11AAK1
SCHEMBL2361559 0.80 SYK (0.49) SYKCYP2C9STK17BSTK17AMAP4K1
SCHEMBL2279703 0.80 SYK (0.65) SYKCYP2C9STK17BSTK17AMAP4K1
SCHEMBL12372271 0.79 SYK (0.51) SYKCYP2C9STK17BSTK17AMAP4K1

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 SYK 1/4885CYP2C9 3511/4885STK17B 218/4885

“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.