SCHEMBL2377611

SCHEMBL2377611

C[Si](C)(C)CCOCn1ccc2nc(NC(=O)NCC3CCCCN3CC(F)(F)F)cnc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
DGAT1 O75907 4/20 0.33
POLR1A O95602 1/20 0.32
HTR2C P28335 1/20 0.31
MCHR1 Q99705 1/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP1A2 P05177 1/20 0.31
SMO Q99835 1/20 0.30
THRB P10828 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2376964 0.90 JAK2 (0.37) JAK2JAK1JAK3DGAT1HTR2C
SCHEMBL2379002 0.86 HCRTR1 (0.34) JAK2JAK1JAK3DGAT1ALDH1A1
SCHEMBL2377365 0.85 JAK2 (0.39) JAK2JAK1JAK3DGAT1
SCHEMBL2379368 0.85 HCRTR1 (0.34) JAK2JAK1JAK3DGAT1ALDH1A1
SCHEMBL2378283 0.85 JAK2 (0.35) JAK2JAK1JAK3DGAT1
SCHEMBL2378288 0.84 PRMT5 (0.40) ALDH1A1LMNA
SCHEMBL2378212 0.84 JAK2 (0.45) JAK2JAK1JAK3DGAT1MCHR1
SCHEMBL2378129 0.84 JAK3 (0.35) JAK2JAK1JAK3DGAT1
SCHEMBL2378512 0.83 DPP4 (0.33) JAK2JAK1JAK3DGAT1KDM4E
SCHEMBL2378996 0.82 JAK2 (0.37) JAK2JAK1JAK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US 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 5/4885JAK1 1/4885JAK3 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.