SCHEMBL2377685

SCHEMBL2377685

CC(=O)N1CCC(CNC(=O)Nc2cnc3c(ccn3COCC[Si](C)(C)C)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.41
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
BRD4 O60885 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
JAK3 P52333 1/20 0.36

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
SCHEMBL2376202 0.93 BRD4 (0.47) BRD4
SCHEMBL2375778 0.92 JAK2 (0.40) JAK2HDAC3HDAC1HDAC2HDAC8
SCHEMBL2377819 0.90 JAK2 (0.42) JAK2HDAC3HDAC1HDAC2BRD4
SCHEMBL2378940 0.90 KDM4E (0.43) BRD4
SCHEMBL2377327 0.90 BRD4 (0.42) BRD4
SCHEMBL2377720 0.89 JAK2 (0.54) JAK2JAK3
SCHEMBL2377187 0.89 JAK2 (0.43) JAK2JAK3
Hydrochloric Acid SCHEMBL2377276 0.87 MAPK1 (0.37) HDAC3HDAC1HDAC2BRD4
SCHEMBL2377365 0.87 JAK2 (0.39) JAK2JAK3
SCHEMBL2378719 0.87 KDM4E (0.39) JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102232076-A Pyrrolopyrazinyl urea kinase inhibitors HOFFMANN LA ROCHE 2011-11-02 CN disclosed
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 JAK2 5/4885HDAC3 1561/4885HDAC1 619/4885

“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.