SCHEMBL2377654

SCHEMBL2377654

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
JAK2 O60674 2/20 0.35
JAK3 P52333 2/20 0.35
KMT2A Q03164 1/20 0.35
GAK O14976 1/20 0.33
BCHE P06276 1/20 0.33
HTR6 P50406 1/20 0.33
DGAT1 O75907 1/20 0.33
MAPK1 P28482 3/20 0.33
NPC1 O15118 1/20 0.33
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
ACKR3 P25106 1/20 0.32

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
SCHEMBL2377327 0.95 BRD4 (0.42) BRD4DGAT1MAPK1
SCHEMBL2377819 0.93 JAK2 (0.42) BRD4JAK2JAK3MAPK1
SCHEMBL2375617 0.93 HTR6 (0.41) BCHEHTR6ACKR3
SCHEMBL2377262 0.92 CYP2C9 (0.37) BRD4JAK2JAK3GAKBCHE
SCHEMBL2376202 0.91 BRD4 (0.47) BRD4
SCHEMBL2377450 0.88 JAK2 (0.48) JAK2JAK3MAPK1
SCHEMBL2378719 0.88 KDM4E (0.39) JAK2JAK3KMT2ABCHEHTR6
SCHEMBL2377253 0.88 JAK2 (0.43) JAK2JAK3KMT2A
SCHEMBL2379558 0.86 JAK2 (0.38) BRD4JAK2JAK3DGAT1MAPK1
Ethylenediamine SCHEMBL2377655 0.86 JAK2 (0.46) 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 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 BRD4 407/4885JAK2 5/4885JAK3 2/4885

“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.