SCHEMBL14737623

SCHEMBL14737623

CCN(O)C(=O)[C@@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
KMT2A Q03164 1/20 0.44
CYP2D6 P10635 1/20 0.42
CTSK P43235 11/20 0.41
CTSS P25774 5/20 0.40
HSD17B10 Q99714 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL7455263 0.87 CA1 (0.45) CA1CA2CA7KMT2ACYP2D6
SCHEMBL5447582 0.85 CA1 (0.47) CA1CA2CA7KMT2ACYP2D6
SCHEMBL5433610 0.83 CA1 (0.46) CA1CA2CA7KMT2ACYP2D6
SCHEMBL5873409 0.83 CA1 (0.46) CA1CA2CA7KMT2ACYP2D6
SCHEMBL16232686 0.81 CA1 (0.46) CA1CA2CA7KMT2ACYP2D6
SCHEMBL12915836 0.81 CA1 (0.46) CA1CA2CA7KMT2ACYP2D6
SCHEMBL14923588 0.81 CA1 (0.46) CA1CA2CA7KMT2ACYP2D6
SCHEMBL768534 0.79 CA1 (0.47) CA1CA2CA7KMT2ACYP2D6
SCHEMBL6632972 0.79 CA1 (0.47) CA1CA2CA7KMT2ACYP2D6
SCHEMBL2386106 0.79 CA1 (0.47) CA1CA2CA7KMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 CA1 4390/4885CA2 3251/4885CA7 4014/4885

“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.