SCHEMBL2377819

SCHEMBL2377819

CC(=O)N1CCCC(CNC(=O)Nc2cnc3c(ccn3COCC[Si](C)(C)C)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.42
JAK3 P52333 3/20 0.42
CCNT1 O60563 4/20 0.36
MAPK1 P28482 4/20 0.34
SYK P43405 1/20 0.34
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
CHEK2 O96017 1/20 0.34
BRD4 O60885 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
SCHEMBL2377654 0.93 BRD4 (0.37) JAK2JAK3MAPK1BRD4
SCHEMBL2377463 0.92 JAK2 (0.41) JAK2JAK3CCNT1CYP4F2CYP4A11
SCHEMBL2377685 0.90 JAK2 (0.41) JAK2JAK3BRD4HDAC3HDAC1
SCHEMBL2375617 0.90 HTR6 (0.41) CHEK2
SCHEMBL2377253 0.88 JAK2 (0.43) JAK2JAK3CYP4F2CYP4A11KDM4E
SCHEMBL2376949 0.88 JAK2 (0.57) JAK2JAK3MAPK1
SCHEMBL2378351 0.88 JAK2 (0.57) JAK2JAK3MAPK1
SCHEMBL2376961 0.88 JAK2 (0.57) JAK2JAK3MAPK1
SCHEMBL2377327 0.88 BRD4 (0.42) MAPK1BRD4KDM4E
SCHEMBL2378212 0.86 JAK2 (0.45) JAK2JAK3MAPK1

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 5/4885JAK3 2/4885CCNT1 436/4885

“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.