SCHEMBL2377262

SCHEMBL2377262

COC(=O)N1CCCC(CCNC(=O)Nc2cnc3c(ccn3COCC[Si](C)(C)C)n2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
JAK2 O60674 4/20 0.34
JAK3 P52333 4/20 0.34
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
DGAT1 O75907 1/20 0.32
P2RX3 P56373 2/20 0.32
P2RX2 Q9UBL9 2/20 0.32
HTR2A P28223 1/20 0.31
JAK1 P23458 2/20 0.31
PIK3CA P42336 2/20 0.31
PIK3CG P48736 2/20 0.31
MTOR P42345 1/20 0.31
ATR Q13535 1/20 0.31
GAK O14976 1/20 0.31
BCHE P06276 1/20 0.31
HTR6 P50406 1/20 0.31
PIK3CD O00329 1/20 0.31
PRMT3 O60678 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL2377463 0.93 JAK2 (0.41) CYP2C9JAK2JAK3DGAT1JAK1
SCHEMBL2378883 0.93 CYP2C9 (0.46) CYP2C9FPR3FPR2BCHEHTR6
SCHEMBL2377654 0.92 BRD4 (0.37) JAK2JAK3DGAT1P2RX3P2RX2
SCHEMBL2376854 0.91 BRD4 (0.38) JAK2DGAT1PIK3CAPIK3CGMTOR
SCHEMBL2377057 0.88 JAK2 (0.42) JAK2JAK3JAK1
SCHEMBL2377327 0.88 BRD4 (0.42) CYP2C9DGAT1BRD4MAPK1
SCHEMBL2377450 0.87 JAK2 (0.48) JAK2JAK3JAK1PIK3CAMTOR
SCHEMBL2378441 0.86 DGAT1 (0.32) JAK2JAK3DGAT1JAK1PIK3CA
SCHEMBL2378035 0.86 JAK2 (0.44) JAK2JAK3DGAT1HTR2AJAK1
SCHEMBL2377819 0.85 JAK2 (0.42) JAK2JAK3BRD4MAPK1

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
EP-2373653-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
WO-2010063634-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 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-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors JAK1, JAK3, ULK3 CYP2C9 3264/4885JAK2 5/4885JAK3 2/4885

“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.