SCHEMBL169734

SCHEMBL169734

Cc1ccc(NC2CCOCC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
IRAK4 Q9NWZ3 3/20 0.44
SYK P43405 1/20 0.41
BACE1 P56817 2/20 0.38
PARP14 Q460N5 1/20 0.38
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
ROCK2 O75116 1/20 0.36
PDE10A Q9Y233 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 1/20 0.35
LRRK2 Q5S007 1/20 0.35
OPRL1 P41146 1/20 0.35
PDE2A O00408 1/20 0.35
SCN5A Q14524 1/20 0.35

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
SCHEMBL24632661 0.91 BACE1 (0.42) MAPK1IRAK4SYKBACE1BACE2
SCHEMBL15830061 0.89 MAPK1 (0.46) MAPK1IRAK4SYKBACE1PARP14
SCHEMBL8042423 0.88 ROCK2 (0.41) IRAK4ROCK2SMN1; SMN2RAB9A
SCHEMBL18010743 0.83 ALDH1A1 (0.49) SMN1; SMN2RAB9A
SCHEMBL13419405 0.81 BRD4 (0.43) MAPK1IRAK4
SCHEMBL171321 0.81 MAPK1 (0.45) MAPK1IRAK4SYKSMN1; SMN2RAB9A
SCHEMBL171261 0.81 ALDH1A1 (0.47) MAPK1IRAK4PARP14PDE3BPDE3A
SCHEMBL4801331 0.81 MAPK1 (0.45) MAPK1IRAK4SYKBACE1PDE10A
SCHEMBL19697061 0.80 PDE3B (0.37) MAPK1BACE1PARP14PDE3BPDE3A
SCHEMBL12075000 0.80 HSP90AA1 (0.38) MAPK1BACE1PARP14PDE3BPDE3A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4015504-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2022-06-22 EP disclosed
EP-3508477-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2021-11-10 EP disclosed
EP-3508477-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2019-07-10 EP disclosed
EP-3078658-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2019-04-10 EP disclosed
US-9840517-B2 Compound inhibiting activities of BTK and/or JAK3 kinases Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2017-12-12 US disclosed
US-20170114017-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2017-04-27 US disclosed
US-20170065604-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2017-03-09 US disclosed
US-9573897-B2 C5AR antagonists CHEMOCENTRYX, INC. (US) 2017-02-21 US disclosed
US-20160229802-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2016-08-11 US disclosed
US-20160229865-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2016-08-11 US disclosed
US-20130172347-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. 2013-07-04 US disclosed
US-8445515-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2013-05-21 US disclosed
US-8404674-B2 Substituted 9H-purin-2-YL compounds, compositions thereof and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-26 US disclosed
EP-2426125-A1 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
US-20110275639-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2011-11-10 US disclosed
US-20100311753-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100311721-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-09 US disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
WO-2007104783-A2 1,4 -DI SUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPT0R MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2007-09-20 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 (9 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-20110275639-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 MAPK1 3645/4885IRAK4 1367/4885SYK 1722/4885
US-20160229865-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES BTK, JAK3, JAK2 MAPK1 289/4885IRAK4 101/4885SYK 5/4885
US-20100311721-A1 COMPOUNDS CCNA1, MKI67, CCNT1 MAPK1 205/4885IRAK4 3584/4885SYK 3683/4885
US-20170114017-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 MAPK1 3645/4885IRAK4 1367/4885SYK 1722/4885
US-20160229802-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 MAPK1 3645/4885IRAK4 1367/4885SYK 1722/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 MAPK1 1243/4885IRAK4 972/4885SYK 3014/4885
US-20100311753-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 MAPK1 3645/4885IRAK4 1367/4885SYK 1722/4885
US-20130172347-A1 C5AR ANTAGONISTS C5AR1, C5AR2, C3AR1 MAPK1 3645/4885IRAK4 1367/4885SYK 1722/4885
US-20170065604-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 MAPK1 3451/4885IRAK4 1543/4885SYK 1725/4885

“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.