SCHEMBL2378427

SCHEMBL2378427

CC(C)(C)OC(=O)N1CCC(F)(C#N)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSK P43235 1/20 0.42
CYP11B2 P19099 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
USP30 Q70CQ3 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
RORC P51449 3/20 0.38
SCD5 Q86SK9 1/20 0.37
HDAC2 Q92769 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL14242632 0.93 MEN1 (0.43) USP2SMN1; SMN2CTSKCYP11B2MEN1
SCHEMBL2887782 0.90 USP2 (0.49) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL25303284 0.89 MEN1 (0.43) USP2SMN1; SMN2CTSKCYP11B2MEN1
SCHEMBL22983614 0.84 USP2 (0.42) USP2SMN1; SMN2CYP11B2MEN1ALDH1A1
SCHEMBL21458064 0.82 USP2 (0.41) USP2SMN1; SMN2CYP11B2USP30RORC
SCHEMBL28604412 0.81 VNN1 (0.46) USP2SMN1; SMN2CTSKCYP11B2MEN1
SCHEMBL28587335 0.81 VNN1 (0.46) USP2SMN1; SMN2CTSKCYP11B2MEN1
SCHEMBL13993957 0.81 USP2 (0.42) USP2SMN1; SMN2CTSKCYP11B2MEN1
SCHEMBL2377946 0.81 VNN1 (0.46) USP2SMN1; SMN2CTSKCYP11B2MEN1
SCHEMBL475749 0.80 USP2 (0.47) USP2SMN1; SMN2CYP11B2USP30RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP disclosed
WO-2011117145-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 US disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 US disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 US disclosed
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP disclosed
US-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 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-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, BTK USP2 1770/4885SMN1; SMN2 4812/4885CTSK 834/4885

“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.