SCHEMBL174319

SCHEMBL174319

O=C(O)N1CC(c2ccc(N=C(c3ccccc3)c3ccccc3)nc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SCD5 Q86SK9 8/20 0.35
SCD O00767 6/20 0.35
HDAC4 P56524 2/20 0.34
CSF1R P07333 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
NAMPT P43490 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32

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
SCHEMBL255555 0.84 HPGDS (0.43) KDM4EKMT2ANAMPTLMNA
SCHEMBL21355585 0.82 KMT2A (0.43) L3MBTL1KDM4EGLAHTTKMT2A
SCHEMBL12609941 0.80 PDE2A (0.39) L3MBTL1KMT2ANAMPT
SCHEMBL12609948 0.80 PDE2A (0.39) L3MBTL1KMT2ANAMPT
SCHEMBL4389904 0.80 DRD2 (0.39)
SCHEMBL159379 0.75 GABRP (0.43) L3MBTL1KDM4EGLAHTTKMT2A
SCHEMBL25261953 0.72 HTT (0.43) L3MBTL1KDM4EGLAHTTKMT2A
SCHEMBL162009 0.72 NAPRT (0.43) L3MBTL1KDM4EGLAHTTKMT2A
SCHEMBL25253389 0.72 KDM4E (0.43) L3MBTL1KDM4EGLAHTTKMT2A
SCHEMBL23091858 0.71 HRH3 (0.48) HTTKMT2ASMN1; SMN2NPC1RAB9A

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 6 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
CN-103313987-A Pyrazolopyridines and pyrazolopyridines and their use as tyk2 inhibitors HOFFMANN LA ROCHE 2013-09-18 CN 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 L3MBTL1 4437/4885KDM4E 2138/4885GLA 3443/4885

“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.