SCHEMBL1010129

SCHEMBL1010129

CC1=NCCc2c(Cl)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR1A P08908 3/20 0.40
HTR7 P34969 3/20 0.40
HTR2C P28335 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
ADRB2 P07550 1/20 0.40
HTR2A P28223 1/20 0.40
HTR5A P47898 1/20 0.40

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
SCHEMBL30167242 1.00 CYP19A1 (0.41) CYP19A1CYP11B1CYP11B2ADRA2ACYP2D6
SCHEMBL1011370 0.81 ALDH1A1 (0.47) CYP19A1CYP11B1CYP11B2HTR1AHTR7
SCHEMBL28163806 0.78 PARP1 (0.42) CYP19A1CYP2D6HTR1AHTR7HTR2C
SCHEMBL1009344 0.78 CYP19A1 (0.41) CYP19A1CYP11B1CYP11B2HTR1AHTR7
SCHEMBL15487682 0.78 KDM4E (0.40) CYP2D6HTR1AHTR7HTR2CKDM4E
SCHEMBL29607356 0.78 PARP10 (0.42) CYP2D6HTR1AHTR7HTR2CKDM4E
SCHEMBL1011067 0.78 PARP10 (0.42) CYP2D6HTR1AHTR7HTR2CKDM4E
SCHEMBL28164453 0.78 PARP1 (0.42) CYP2D6HTR1AHTR7HTR2CKDM4E
SCHEMBL11259543 0.77 MAPK10 (0.42) HTR1AHTR7MAPK10MAPK14
SCHEMBL1011242 0.75 HTR2C (0.55) CYP19A1HTR2CKDM4EMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115650824-B Chiral diol and preparation method thereof, prepared catalyst and preparation method and application thereof 合肥工业大学 2024-01-23 CN claimed
CN-115650824-B Chiral diol and preparation method thereof, prepared catalyst and preparation method and application thereof 合肥工业大学 2024-01-23 CN disclosed
CN-115650824-A Chiral diol and preparation method thereof, prepared catalyst, preparation method and application 合肥工业大学 2023-01-31 CN disclosed
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
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 (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-20160159795-A1 DIAZEPINONE DERIVATIVES ADRB1, ADRB2, BRD4 CYP19A1 1328/4885CYP11B1 25/4885CYP11B2 13/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 CYP19A1 3535/4885CYP11B1 271/4885CYP11B2 247/4885
US-20170305903-A1 DIAZEPINONE DERIVATIVES ADRB1, ADRB2, BRD4 CYP19A1 1328/4885CYP11B1 25/4885CYP11B2 13/4885
US-20140357625-A1 DIAZEPINONE DERIVATIVES ADRB1, ADRB2, BRD4 CYP19A1 1328/4885CYP11B1 25/4885CYP11B2 13/4885

“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.