SCHEMBL2646918

SCHEMBL2646918

CC(Oc1nn2c(-c3ccccc3)nnc2cc1C1CCCC1)c1nc[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 18/20 0.55
GABRB3 P28472 18/20 0.55
GABRA1 P14867 17/20 0.55
GABRA3 P34903 17/20 0.55
GABRA2 P47869 15/20 0.55
GABRA5 P31644 12/20 0.39
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIM1 P11309 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
SCHEMBL2647171 0.99 GABRG2 (0.56) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL342589 0.98 GABRG2 (0.55) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL341874 0.88 GABRA1 (0.44) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL6779561 0.86 GABRA1 (0.46) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL341325 0.86 GABRA1 (0.41) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL339268 0.86 GABRA1 (0.41) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL341136 0.84 GABRA1 (0.43) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL339264 0.83 GABRA1 (0.51) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL6990798 0.83 GABRA1 (0.42) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL2648668 0.83 GABRG2 (0.40) GABRG2GABRB3GABRA1GABRA3GABRA2

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
EP-0915875-B1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-04-09 EP claimed
US-6174886-B1 TREATMENT AND/OR PREVENTION OF PSYCHOTIC DISORDERS INCLUDING SCHIZOPHRENIA WITH REDUCED SEDATION; SELECTIVE LIGANDS FOR GAMMA-AMINOBUTYRIC ACID A RECEPTORS, IN PARTICULAR HAVING HIGH AFFINITY FOR THE ALPHA2 AND/OR ALPHA3 SUBUNIT MERCK SHARP & DOHME LTD. (GB) 2001-01-16 US claimed
US-6063783-A Analgesic use of triazolo-pyridazine derivatives MERCK SHARP & DOHME LTD. (GB) 2000-05-16 US claimed
US-6046196-A Antispastic use of triazolo-pyridazine derivatives MERCK SHARP & DOHME LTD. (GB) 2000-04-04 US claimed
WO-1999025353-A1 THERAPEUTIC USES OF TRIAZOLO-PYRIDAZINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1999-05-27 WO claimed
EP-0915875-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1999-05-19 EP claimed
WO-1998004559-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1998-02-05 WO claimed
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION Sunovion Inc. (US) 2012-05-17 US disclosed
US-20050215521-A1 Modafinil combination therapy for improving sleep quality SEPRACOR INC. 2005-09-29 US disclosed
US-20050176680-A1 Eszopiclone stimulates GABA receptors, and serotonin reuptake inhibitor (citalopram), norepinephrine reuptake inhibitor (desipramine), 5-HT2A modulator, or dopamine reuptake inhibitor (amineptine) SEPRACOR, INC. (US) 2005-08-11 US disclosed
US-20050164987-A1 Melatonin combination therapy for improving sleep quality SEPRACOR INC. 2005-07-28 US disclosed
EP-0915875-B1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-04-09 EP disclosed
US-6399608-B1 FLUOXETINE, PAROXETINE OR SERTRALINE WITH 1,2,4-TRIAZOLO (4,3-B)PYRIDAZINE DERIVATIVE; NONSEDATING ANXIOLYTIC MODULATOR OF BENZODIAZEPINE BINDING SITE OF GAMMA AMINO-BUTYRIC ACID RECEPTOR; CENTRAL NERVOUS SYSTEM MERCK SHARP & DOHME LTD. (GB) 2002-06-04 US disclosed
US-6107296-A Neuroprotective use of triazolo-pyridazine derivatives MERCK SHARP & DOHME, LTD. (GB) 2000-08-22 US disclosed
US-6063783-A Analgesic use of triazolo-pyridazine derivatives MERCK SHARP & DOHME LTD. (GB) 2000-05-16 US disclosed
US-6046196-A Antispastic use of triazolo-pyridazine derivatives MERCK SHARP & DOHME LTD. (GB) 2000-04-04 US disclosed
WO-1999037303-A1 COMBINATION OF A GABA-A ALPHA 2/3 AGONIST AND A SELECTIVE SEROTONIN REUPTAKE INHIBITOR MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 WO disclosed
WO-1999025353-A1 THERAPEUTIC USES OF TRIAZOLO-PYRIDAZINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1999-05-27 WO disclosed
EP-0915875-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1999-05-19 EP disclosed
WO-1998004559-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1998-02-05 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-20050176680-A1 Eszopiclone stimulates GABA receptors, and serotonin reuptake inhibitor (citalopram), norepinephrine reuptake inhibitor (desipramine), 5-HT2A modulator, or dopamine reuptake inhibitor (amineptine) HTR2A, HTR2C, HTR5A GABRG2 167/4885GABRB3 133/4885GABRA1 76/4885
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C GABRG2 97/4885GABRB3 85/4885GABRA1 46/4885
US-20050164987-A1 Melatonin combination therapy for improving sleep quality MTNR1A, MTNR1B, CRY1 GABRG2 509/4885GABRB3 578/4885GABRA1 150/4885
US-20050215521-A1 Modafinil combination therapy for improving sleep quality HCRTR2, HCRTR1, MTNR1A GABRG2 478/4885GABRB3 386/4885GABRA1 220/4885

“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.