SCHEMBL2376404

SCHEMBL2376404

CN(C(=O)NC1CCCCC1)c1cnc2c(ccn2COCC[Si](C)(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 6/20 0.48
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
PKM P14618 1/20 0.38
CNR2 P34972 1/20 0.36
GRIN2B Q13224 2/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
PRKDC P78527 1/20 0.34
DGAT1 O75907 2/20 0.33
MAPT P10636 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
SCHEMBL2377659 0.83 JAK2 (0.48) JAK2JAK1JAK3PKMALDH1A1
SCHEMBL12904172 0.76 HPGD (0.45) PKMALDH1A1POLBDGAT1
SCHEMBL12904170 0.76 P2RX7 (0.36) PKMDGAT1MAPT
SCHEMBL2377198 0.75 JAK2 (0.37) JAK2JAK1JAK3DGAT1
SCHEMBL2378417 0.75 TAS1R3 (0.40) JAK2JAK1JAK3ALDH1A1DGAT1
Hydrochloric Acid SCHEMBL2377959 0.75 JAK2 (0.42) JAK2JAK1JAK3DGAT1
SCHEMBL2379412 0.74 JAK2 (0.41) JAK2JAK1JAK3GRIN2BDGAT1
SCHEMBL2377266 0.74 JAK2 (0.51) JAK2JAK1JAK3
Hydrochloric Acid SCHEMBL2376826 0.74 JAK2 (0.41) JAK2JAK1JAK3
SCHEMBL2375791 0.74 TAS1R3 (0.41) JAK2JAK1JAK3ALDH1A1DGAT1

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 ATM 765/4885JAK2 5/4885JAK1 1/4885

“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.