SCHEMBL2277332

SCHEMBL2277332

CC1(C)CCN(c2cc(C#N)cc(B3OC(C)(C)C(C)(C)O3)c2)C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.35
FFAR4 Q5NUL3 4/20 0.35
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
LRRK2 Q5S007 1/20 0.31
KCNJ1 P48048 1/20 0.31
NSD2 O96028 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
SCHEMBL12372521 0.84 DRD2 (0.33) FFAR4SLC6A2SLC6A4SLC6A3NSD2
SCHEMBL31125907 0.82 KDM4E (0.38) EGLN2SLC6A2SLC6A4SLC6A3NSD2
SCHEMBL3758875 0.82 KDM4E (0.38) EGLN2SLC6A2SLC6A4SLC6A3NSD2
SCHEMBL3762977 0.80 FFAR4 (0.38) EGLN2FFAR4
SCHEMBL3753458 0.79 ALK (0.37) FFAR4LRRK2
SCHEMBL2277604 0.76 LIPG (0.41)
SCHEMBL7960738 0.76 ESR2 (0.41)
SCHEMBL22465889 0.76 LPL (0.44)
SCHEMBL3751064 0.75 LRRK2 (0.36) FFAR4LRRK2
SCHEMBL3754452 0.74 EGLN2 (0.47) EGLN2

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
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 EGLN2 2899/4885FFAR4 3869/4885SLC6A2 4851/4885

“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.