SCHEMBL2378878

SCHEMBL2378878

CC1CCN(C(=O)OC(C)(C)C)CCC1NC(=O)Nc1cnc2c(ccn2COCC[Si](C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.36
MTOR P42345 6/20 0.36
PIK3CG P48736 4/20 0.36
GPR119 Q8TDV5 4/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
HDAC4 P56524 1/20 0.35
JAK2 O60674 1/20 0.34
ATR Q13535 2/20 0.34
NR3C1 P04150 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
AURKB Q96GD4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL2379137 0.93 JAK2 (0.36) PIK3CAMTORPIK3CGJAK2ATR
SCHEMBL2376834 0.92 CA12 (0.44) PIK3CAMTORPIK3CGGPR119CA12
SCHEMBL2376508 0.91 JAK2 (0.43) JAK2
SCHEMBL2379264 0.89 EPHX1 (0.42) PIK3CAMTORPIK3CGGPR119CA12
SCHEMBL2376943 0.89 USP30 (0.43) PIK3CAMTORPIK3CGCA12CA1
SCHEMBL2377173 0.89 USP30 (0.43) PIK3CAMTORPIK3CGCA12CA1
SCHEMBL2376948 0.89 USP30 (0.43) PIK3CAMTORPIK3CGCA12CA1
SCHEMBL2378940 0.88 KDM4E (0.43) PIK3CAMTORGPR119KDM4EPKM
SCHEMBL2377700 0.88 JAK2 (0.35) PIK3CAMTORJAK2
SCHEMBL2376507 0.87 KEAP1 (0.39) PIK3CAMTORPIK3CGGPR119KEAP1

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 PIK3CA 563/4885MTOR 101/4885PIK3CG 526/4885

“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.