SCHEMBL2379137

SCHEMBL2379137

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.36
PIK3CA P42336 12/20 0.33
MTOR P42345 12/20 0.33
PIK3CG P48736 3/20 0.33
ATR Q13535 3/20 0.33
PIK3CB P42338 1/20 0.33
JAK3 P52333 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
BRD4 O60885 2/20 0.32
DGAT1 O75907 2/20 0.32
CREBBP Q92793 1/20 0.31

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
SCHEMBL2377700 0.95 JAK2 (0.35) JAK2PIK3CAMTORPIK3CBJAK3
SCHEMBL2378878 0.93 PIK3CA (0.36) JAK2PIK3CAMTORPIK3CGATR
SCHEMBL2376508 0.93 JAK2 (0.43) JAK2JAK3TAS1R3TAS1R1BRD4
SCHEMBL2379481 0.90 JAK2 (0.45) JAK2PIK3CAMTORPIK3CGATR
SCHEMBL2379558 0.90 JAK2 (0.38) JAK2PIK3CAMTORPIK3CBJAK3
SCHEMBL2378605 0.89 JAK2 (0.41) JAK2JAK3BRD4DGAT1CREBBP
SCHEMBL2375794 0.89 TAS1R3 (0.41) JAK2JAK3TAS1R3TAS1R1BRD4
SCHEMBL2375797 0.89 TAS1R3 (0.41) JAK2JAK3TAS1R3TAS1R1BRD4
SCHEMBL2375791 0.89 TAS1R3 (0.41) JAK2JAK3TAS1R3TAS1R1BRD4
SCHEMBL2378774 0.88 JAK2 (0.45) JAK2JAK3BRD4DGAT1CREBBP

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 JAK2 5/4885PIK3CA 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.