SCHEMBL1010355

SCHEMBL1010355

CC1=NCCc2c1cccc2C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD11B1 P28845 7/20 0.40
NOTUM Q6P988 2/20 0.40
METAP1 P53582 1/20 0.40
MPL P40238 1/20 0.38
GRM5 P41594 1/20 0.38
GRM1 Q13255 1/20 0.38
HTR2C P28335 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
ADRB2 P07550 1/20 0.37
HTR1A P08908 1/20 0.37
MAPT P10636 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
HTR5A P47898 1/20 0.37
HTR6 P50406 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL15487819 0.82 GRM5 (0.41) ALDH1A1GRM5HTR2CKDM4EMEN1
SCHEMBL1009344 0.77 CYP19A1 (0.41) ALDH1A1NOTUMGRM5GRM1HTR2C
SCHEMBL1011370 0.77 ALDH1A1 (0.47) ALDH1A1NOTUMHTR2CKDM4EMEN1
SCHEMBL1010644 0.76 METAP1 (0.37) ALDH1A1L3MBTL1HSD11B1NOTUMMETAP1
SCHEMBL30167242 0.74 CYP19A1 (0.41) ALDH1A1HSD11B1NOTUMGRM5GRM1
SCHEMBL29607356 0.74 PARP10 (0.42) ALDH1A1GRM5GRM1HTR2CKDM4E
SCHEMBL28164453 0.74 PARP1 (0.42) ALDH1A1L3MBTL1HTR2CKDM4EMEN1
SCHEMBL1010129 0.74 CYP19A1 (0.41) ALDH1A1HSD11B1NOTUMGRM5GRM1
SCHEMBL1011067 0.74 PARP10 (0.42) ALDH1A1GRM5GRM1HTR2CKDM4E
SCHEMBL28163806 0.74 PARP1 (0.42) ALDH1A1HTR2CKDM4EMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888259-B1 DIAZEPINONE DERIVATIVES USEFUL FOR THE TREATMENT OF FRAGILE X SYNDROME, PARKINSONS OR REFLUX DISEASE NOVARTIS AG (CH) 2018-03-07 EP disclosed
US-20170305903-A1 DIAZEPINONE DERIVATIVES NOVARTIS AG (CH) 2017-10-26 US disclosed
US-9650377-B2 Diazepinone derivatives NOVARTIS AG (CH) 2017-05-16 US disclosed
US-20160159795-A1 DIAZEPINONE DERIVATIVES NOVARTIS AG (CH) 2016-06-09 US disclosed
US-9284331-B2 Diazepinone derivatives NOVARTIS AG (CH) 2016-03-15 US disclosed
EP-2888259-A1 DIAZEPINONE DERIVATIVES USEFUL FOR THE TREATMENT OF FRAGILE X SYNDROME, PARKINSONS OR REFLUX DISEASE Novartis AG (CH) 2015-07-01 EP disclosed
US-20140357625-A1 DIAZEPINONE DERIVATIVES NOVARTIS AG (CH) 2014-12-04 US disclosed
US-8853203-B2 Diazepinone derivatives NOVARTIS AG (CH) 2014-10-07 US disclosed
WO-2014030128-A1 DIAZEPINONE DERIVATIVES USEFUL FOR THE TREATMENT OF FRAGILE X SYNDROME, PARKINSONS OR REFLUX DISEASE NOVARTIS AG (CH) 2014-02-27 WO disclosed
US-20140057902-A1 Diazepinone derivatives NOVARTIS AG (CH) 2014-02-27 US disclosed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
CN-101501036-A Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO KGAA (DE) 2009-08-05 CN disclosed
EP-2054416-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 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-20140057902-A1 Diazepinone derivatives ADRB1, ADRB2, BRD4 ALDH1A1 482/4885L3MBTL1 4870/4885HSD11B1 135/4885
US-20160159795-A1 DIAZEPINONE DERIVATIVES ADRB1, ADRB2, BRD4 ALDH1A1 482/4885L3MBTL1 4870/4885HSD11B1 135/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 ALDH1A1 3094/4885L3MBTL1 2526/4885HSD11B1 2348/4885
US-20170305903-A1 DIAZEPINONE DERIVATIVES ADRB1, ADRB2, BRD4 ALDH1A1 482/4885L3MBTL1 4870/4885HSD11B1 135/4885
US-20140357625-A1 DIAZEPINONE DERIVATIVES ADRB1, ADRB2, BRD4 ALDH1A1 482/4885L3MBTL1 4870/4885HSD11B1 135/4885

“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.