SCHEMBL2376508

SCHEMBL2376508

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.43
JAK3 P52333 7/20 0.38
DGAT1 O75907 2/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
FPR1 P21462 4/20 0.32
FPR2 P25090 4/20 0.32
TAS1R3 Q7RTX0 3/20 0.31
TAS1R1 Q7RTX1 3/20 0.31
JAK1 P23458 4/20 0.31
HPGDS O60760 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
SCHEMBL2378605 0.94 JAK2 (0.41) JAK2JAK3DGAT1BRD4CREBBP
SCHEMBL2379137 0.93 JAK2 (0.36) JAK2JAK3DGAT1BRD4CREBBP
SCHEMBL2378878 0.91 PIK3CA (0.36) JAK2
SCHEMBL2377720 0.90 JAK2 (0.54) JAK2JAK3JAK1HPGDS
SCHEMBL2376281 0.90 JAK2 (0.45) JAK2JAK3DGAT1FPR1FPR2
SCHEMBL2375791 0.89 TAS1R3 (0.41) JAK2JAK3DGAT1BRD4CREBBP
SCHEMBL2375794 0.89 TAS1R3 (0.41) JAK2JAK3DGAT1BRD4CREBBP
SCHEMBL2375797 0.89 TAS1R3 (0.41) JAK2JAK3DGAT1BRD4CREBBP
SCHEMBL2378774 0.89 JAK2 (0.45) JAK2JAK3DGAT1BRD4CREBBP
SCHEMBL2377700 0.89 JAK2 (0.35) JAK2JAK3DGAT1BRD4CREBBP

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 5 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
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 5/4885JAK3 2/4885DGAT1 4356/4885

“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.