SCHEMBL2378378

SCHEMBL2378378

CCC1(C#N)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR1H2 P55055 2/20 0.39
JAK1 P23458 2/20 0.37
GPR119 Q8TDV5 4/20 0.36
JAK2 O60674 1/20 0.36
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.35
DPP4 P27487 1/20 0.34

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
SCHEMBL2328812 0.87 CTSK (0.43) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL25305211 0.86 CTSK (0.42) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL1707010 0.86 CTSK (0.42) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL17830842 0.84 USP2 (0.45) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL2943268 0.82 NR1H2 (0.44) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL27330332 0.82 CTSK (0.39) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL1706650 0.81 USP2 (0.43) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL15577456 0.81 CTSK (0.38) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL15577439 0.81 CTSK (0.38) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL27329692 0.80 CTSK (0.38) CTSKMEN1ALDH1A1MAPTKMT2A

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
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

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 CTSK 834/4885MEN1 4109/4885ALDH1A1 4643/4885

“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.