SCHEMBL2376854

SCHEMBL2376854

COC(=O)N1CCC(CCNC(=O)Nc2cnc3c(ccn3COCC[Si](C)(C)C)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
PIK3CA P42336 5/20 0.35
MTOR P42345 4/20 0.35
PIK3CG P48736 2/20 0.35
ATR Q13535 1/20 0.35
DGAT1 O75907 2/20 0.34
JAK2 O60674 1/20 0.33
PIK3CD O00329 1/20 0.32
MAPK1 P28482 1/20 0.32
NAMPT P43490 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
SCHEMBL2376507 0.93 KEAP1 (0.39) PIK3CAMTORPIK3CGNAMPT
SCHEMBL2375778 0.93 JAK2 (0.40) DGAT1JAK2MAPK1NAMPT
SCHEMBL2376202 0.92 BRD4 (0.47) BRD4PIK3CAMTOR
SCHEMBL2377262 0.91 CYP2C9 (0.37) BRD4PIK3CAMTORPIK3CGATR
SCHEMBL2377327 0.89 BRD4 (0.42) BRD4DGAT1MAPK1
SCHEMBL2376248 0.88 JAK2 (0.42) DGAT1JAK2MAPK1NAMPT
SCHEMBL2379481 0.88 JAK2 (0.45) PIK3CAMTORPIK3CGATRJAK2
Hydrochloric Acid SCHEMBL2377246 0.87 ABL1 (0.39) BRD4PIK3CAPIK3CGDGAT1PIK3CD
SCHEMBL2378940 0.86 KDM4E (0.43) BRD4PIK3CAMTORNAMPT
SCHEMBL2378441 0.86 DGAT1 (0.32) PIK3CAPIK3CGDGAT1JAK2PIK3CD

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 407/4885PIK3CA 563/4885MTOR 101/4885

“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.