SCHEMBL5664007

SCHEMBL5664007

CCOC(=O)c1ccc(C)nc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
TSHR P16473 2/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
CASP3 P42574 1/20 0.51
ATM Q13315 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL12399071 0.88 ALDH1A1 (0.56) KDM4ETSHRMEN1KMT2ARAB9A
SCHEMBL9355979 0.85 TSHR (0.55) KDM4ETSHRMEN1KMT2AATM
SCHEMBL16828808 0.84 MEN1 (0.55) KDM4ETSHRMEN1KMT2ARAB9A
SCHEMBL1017506 0.84 KDM4E (0.55) KDM4ETSHRRAB9ANPC1CASP3
SCHEMBL9308330 0.84 TSHR (0.53) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL7354531 0.84 TSHR (0.53) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL4192112 0.84 CYP1A2 (0.62) KDM4ETSHRRAB9ANPC1CASP3
SCHEMBL510572 0.82 ALDH1A1 (0.54) KDM4ETSHRMEN1KMT2ARAB9A
SCHEMBL2355409 0.82 KDM4E (0.54) KDM4ETSHRMEN1KMT2ARAB9A
SCHEMBL15211304 0.82 KDM4E (0.54) KDM4ETSHRRAB9ANPC1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111566103-B Aminoimidazopyrazines as kinase inhibitors 百时美施贵宝公司 2023-06-23 CN disclosed
EP-2968324-B1 SUBSTITUTED PYRIDAZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2018-04-18 EP disclosed
EP-2968324-B1 SUBSTITUTED PYRIDAZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2018-04-18 EP disclosed
US-20180064692-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2018-03-08 US disclosed
US-9675593-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2017-06-13 US disclosed
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2017-05-04 US disclosed
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2016-09-15 US disclosed
US-9359379-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2016-06-07 US disclosed
US-9353104-B2 Substituted pyridizinone derivatives as PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-9353104-B2 Substituted pyridizinone derivatives as PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
EP-2968324-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-01-20 EP disclosed
WO-2014150114-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO disclosed
WO-2014150114-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO disclosed
WO-2014139150-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-18 WO disclosed
WO-2014139150-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-18 WO disclosed
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2014-04-17 US disclosed
EP-1482954-A4 ALPHA-SUBSTITUTED ARYLALKYL PHOSPHONATE DERIVATIVES ILEX PRODUCTS INC (US) 2006-05-03 EP disclosed
US-20050124586-A1 Alpha-substituted arylalkyl phosphonate derivatives ILEX PRODUCTS, INC. 2005-06-09 US disclosed
EP-1482954-A2 ALPHA-SUBSTITUTED ARYLALKYL PHOSPHONATE DERIVATIVES Ilex Products, Inc. (US) 2004-12-08 EP disclosed
WO-2003069302-A2 ALPHA-SUBSTITUTED ARYLALKYL PHOSPHONATE DERIVATIVES ILEX PRODUCTS, INC. (US) 2003-08-21 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 (5 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-20180064692-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 KDM4E 2117/4885TSHR 4018/4885MEN1 4562/4885
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 KDM4E 2117/4885TSHR 4018/4885MEN1 4562/4885
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 KDM4E 2117/4885TSHR 4018/4885MEN1 4562/4885
US-20050124586-A1 Alpha-substituted arylalkyl phosphonate derivatives APOB, APOL1, LDLR KDM4E 3736/4885TSHR 3056/4885MEN1 4414/4885
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 KDM4E 2117/4885TSHR 4018/4885MEN1 4562/4885

“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.