SCHEMBL2378417

SCHEMBL2378417

CC1CCCCCC1NC(=O)Nc1cnc2c(ccn2COCC[Si](C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.40
TAS1R1 Q7RTX1 4/20 0.40
JAK2 O60674 3/20 0.38
JAK3 P52333 2/20 0.38
JAK1 P23458 1/20 0.38
P2RY1 P47900 1/20 0.36
TSHR P16473 3/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALOX15 P16050 1/20 0.34
DGAT1 O75907 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
USP2 O75604 1/20 0.33
EPHX1 P07099 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
SCHEMBL2375797 0.99 TAS1R3 (0.41) TAS1R3TAS1R1JAK2JAK3JAK1
SCHEMBL2375791 0.99 TAS1R3 (0.41) TAS1R3TAS1R1JAK2JAK3JAK1
SCHEMBL2375794 0.99 TAS1R3 (0.41) TAS1R3TAS1R1JAK2JAK3JAK1
SCHEMBL2377659 0.90 JAK2 (0.48) JAK2JAK3JAK1MEN1ALDH1A1
Hydrochloric Acid SCHEMBL2377393 0.89 JAK2 (0.33) TAS1R3TAS1R1JAK2JAK3JAK1
SCHEMBL2376895 0.89 JAK2 (0.35) TAS1R3TAS1R1JAK2JAK3JAK1
SCHEMBL2376508 0.89 JAK2 (0.43) TAS1R3TAS1R1JAK2JAK3JAK1
SCHEMBL2377203 0.88 JAK2 (0.35) JAK2JAK3JAK1DGAT1BRD4
SCHEMBL2378461 0.88 CYP11B2 (0.34) JAK2JAK3JAK1DGAT1BRD4
SCHEMBL2376281 0.88 JAK2 (0.45) TAS1R3TAS1R1JAK2JAK3JAK1

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 TAS1R3 1541/4885TAS1R1 1568/4885JAK2 5/4885

“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.