SCHEMBL2378719

SCHEMBL2378719

CC(C)(C)OC(=O)N1CCC(CNC(=O)Nc2cnc3c(ccn3COCC[Si](C)(C)C)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
NAMPT P43490 3/20 0.37
HTR6 P50406 2/20 0.36
BCHE P06276 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
ACKR3 P25106 1/20 0.36
PIK3CD O00329 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
USP7 Q93009 1/20 0.35
USP30 Q70CQ3 1/20 0.35
PRMT5 O14744 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2375617 0.96 HTR6 (0.41) NAMPTHTR6BCHEACKR3ALOX5AP
SCHEMBL2378940 0.95 KDM4E (0.43) KDM4EPKMNAMPTGPR119PRMT5
SCHEMBL2377327 0.92 BRD4 (0.42) KDM4E
SCHEMBL2376507 0.90 KEAP1 (0.39) KDM4EPKMNAMPTGPR119
SCHEMBL2377173 0.89 USP30 (0.43) JAK2JAK3PIK3CDUSP30
SCHEMBL2376948 0.89 USP30 (0.43) JAK2JAK3PIK3CDUSP30
SCHEMBL2376943 0.89 USP30 (0.43) JAK2JAK3PIK3CDUSP30
SCHEMBL2378883 0.88 CYP2C9 (0.46) HTR6BCHEACKR3ALOX5APFEN1
SCHEMBL2377654 0.88 BRD4 (0.37) JAK2JAK3HTR6BCHEACKR3
SCHEMBL2376202 0.88 BRD4 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US 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 KDM4E 779/4885PKM 561/4885JAK2 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.