SCHEMBL4065895

SCHEMBL4065895

CC(C)(C)N(C(=O)O)c1ccncc1C=O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.34
ERN1 O75460 3/20 0.34
KDM6B O15054 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KDM4A O75164 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC22A12 Q96S37 8/20 0.32
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL4072497 0.88 KDM4C (0.34) KDM4CERN1KDM6BKDM4EALDH1A1
Acetic Acid SCHEMBL16021009 0.84 KDM4C (0.32) KDM4CKDM6BKDM4EALDH1A1MEN1
SCHEMBL1041865 0.80 TDP1 (0.39) KDM4CKDM6BKDM4EALDH1A1MEN1
SCHEMBL565646 0.78 TDP1 (0.43) KDM4CKDM6BKDM4EALDH1A1MEN1
SCHEMBL1427899 0.78 KMT2A (0.40) ERN1ALDH1A1MEN1THRBKMT2A
SCHEMBL9938195 0.76 ERN1 (0.36) KDM4CERN1KDM6BKDM4EALDH1A1
SCHEMBL3611147 0.75 LMNA (0.35) KDM4CKDM4EALDH1A1KMT2AGAA
SCHEMBL7399490 0.73 ERN1 (0.37) ERN1KDM4EALDH1A1MEN1MAPT
SCHEMBL29954471 0.73 ERN1 (0.37) ERN1KDM4EALDH1A1MEN1MAPT
SCHEMBL1350020 0.72 ATR (0.34) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318561-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-12-22 EP disclosed
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
EP-2576540-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-09-04 EP disclosed
EP-3318561-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2018-05-09 EP disclosed
US-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS SUNOVION PHARMACEUTICALS INC. 2018-02-08 US disclosed
US-9834564-B2 Substituted quinolines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2017-12-05 US disclosed
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2015-06-18 US disclosed
US-8969349-B2 Substituted quinoxalines and quinoxalinones as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2015-03-03 US disclosed
US-8901145-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2014-12-02 US disclosed
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2013-06-20 US disclosed
EP-2576540-A2 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2013-04-10 EP disclosed
WO-2011150156-A2 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-12-01 WO disclosed
EP-1751155-B1 SUBSTITUTED AZACHINAZOLINES HAVING AN ANTIVIRAL ACTION BAYER HEALTHCARE AG (DE) 2009-01-07 EP disclosed
EP-1751155-A1 SUBSTITUTED AZACHINAZOLINES HAVING AN ANTIVIRAL ACTION Bayer HealthCare AG (DE) 2007-02-14 EP disclosed
WO-2005113552-A1 SUBSTITUTED AZACHINAZOLINES HAVING AN ANTIVIRAL ACTION BAYER HEALTHCARE AG (DE) 2005-12-01 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 (4 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-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS PDE10A, PDE2A, PDE3A KDM4C 449/4885ERN1 3209/4885KDM6B 471/4885
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN KDM4C 1394/4885ERN1 3825/4885KDM6B 2493/4885
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors PDE4A, PDE2A, PDE9A KDM4C 2185/4885ERN1 2552/4885KDM6B 1220/4885
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof COMT, GPR119, NLN KDM4C 1394/4885ERN1 3825/4885KDM6B 2493/4885

“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.