SCHEMBL160942

SCHEMBL160942

CN1CCN(C(=O)O)C(c2ccc(N)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.41
MMP2 P08253 1/20 0.35
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.33
GFER P55789 1/20 0.33
XIAP P98170 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CA14 Q9ULX7 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL255476 0.81 NR1H2 (0.43) CYP19A1
SCHEMBL14912047 0.80 CYP19A1 (0.46) CYP19A1MMP2GFERCA1CA2
SCHEMBL520940 0.80 CYP19A1 (0.46) CYP19A1MMP2GFERCA1CA2
SCHEMBL15650719 0.80 CYP19A1 (0.46) CYP19A1MMP2GFERCA1CA2
SCHEMBL160223 0.73 BTK (0.46)
SCHEMBL27950909 0.70 NR1H2 (0.44) POLB
SCHEMBL2507077 0.67 P2RX7 (0.41) POLBCASP6GFERCA1CA2
SCHEMBL30754606 0.66 PRCP (0.49) MMP2TSHR
SCHEMBL31269574 0.65 HDAC1 (0.42) TSHR
SCHEMBL255085 0.65 CHRNA7 (0.38) MMP2

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
US-9249123-B2 Pyridinones/pyrazinones, method of making, and method of use thereof GENENTECH, INC. (US) 2016-02-02 US disclosed
EP-2611790-B1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-11-04 EP disclosed
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-24 US disclosed
EP-2611790-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut, Inc. (US) 2013-07-10 EP disclosed
WO-2012031004-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. (US) 2012-03-08 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-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, PDXK, TYK2 CYP19A1 1375/4885MMP2 3974/4885POLB 1884/4885

“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.