SCHEMBL1352864

SCHEMBL1352864

CC(C)(C)OC(=O)N1CCCC(NC(=O)c2cn(COCC[Si](C)(C)C)c3ncc(C4CC4)nc23)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
PARP1 P09874 3/20 0.43
PDE10A Q9Y233 1/20 0.41
PBK Q96KB5 1/20 0.41
USP30 Q70CQ3 7/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
GABRA5 P31644 1/20 0.39
PIK3CD O00329 1/20 0.38
ANO1 Q5XXA6 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL27889101 0.90 DGAT1 (0.36) HDAC4HDAC6PDE10APBK
SCHEMBL1370078 0.89 ACKR3 (0.42) KDM4EMEN1ALDH1A1KMT2APIK3CD
SCHEMBL1369607 0.86 MEN1 (0.41) PDE10AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL1352450 0.85 DGAT1 (0.39) KDM4EALDH1A1CNR1CNR2
SCHEMBL1352857 0.84 IRAK4 (0.40) CNR1CNR2
SCHEMBL18209959 0.83 PIK3CD (0.40) HDAC4HDAC6PARP1PBKUSP30
SCHEMBL29936497 0.83 PIK3CD (0.40) HDAC4HDAC6PARP1PBKUSP30
SCHEMBL14738711 0.82 CNR1 (0.41) HDAC4HDAC6PARP1USP30GABRA5
SCHEMBL14738713 0.82 CNR1 (0.41) HDAC4HDAC6PARP1USP30GABRA5
SCHEMBL1352898 0.81 SMYD3 (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329699-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-8329699-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-8329699-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-20110288097-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 US disclosed
US-20110288097-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 US disclosed
US-20110288097-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 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-20110288097-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 HDAC4 2854/4885HDAC6 1940/4885PARP1 818/4885

“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.