SCHEMBL342344

SCHEMBL342344

CC(Oc1nn2c(-c3cccs3)nnc2cc1N1CCOCC1)c1nc[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
LRRK2 Q5S007 9/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
STK4 Q13043 1/20 0.33
STK3 Q13188 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL340683 0.86 GABRA1 (0.37) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL340433 0.83 KDM4E (0.40) LRRK2RAB9AMAPTALDH1A1CYP1A2
SCHEMBL6783365 0.82 GABRA1 (0.35) TSHRPIK3CAMTORPIK3CGNPC1
SCHEMBL2646222 0.81 JAK2 (0.35) JAK2JAK3
SCHEMBL339240 0.80 GABRG2 (0.41) TSHRLRRK2NPC1RAB9ARXFP1
SCHEMBL339268 0.80 GABRA1 (0.41) TSHRLRRK2RXFP1ALDH1A1POLB
SCHEMBL340898 0.78 GABRA1 (0.39) MEN1KMT2ARXFP1KDM4EHPGD
SCHEMBL341807 0.77 GABRG2 (0.41) LRRK2NPC1RAB9AMEN1KMT2A
SCHEMBL342343 0.75 TSHR (0.42) TSHRLRRK2NPC1RAB9AMEN1
SCHEMBL6773755 0.73 GABRG2 (0.34) HSD17B10JAK2JAK3

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 26 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
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-8097625-B2 Combination of sedative and a neurotransmitter modulator, and methods for improving sleep quality and treating depression SUNOVION PHARMACEUTICALS INC. (US) 2012-01-17 US disclosed
EP-2343073-A2 Combination of a sedative and a neurotransmitter modulator, and methods for improving sleep quality and treating depression Sepracor Inc. (US) 2011-07-13 EP disclosed
US-20070299055-A1 COMBINATION OF SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR IMPROVING SLEEP QUALITY AND TREATING DEPRESSION SEPRACOR INC. (US) 2007-12-27 US disclosed
EP-1696959-A2 MELATONIN COMBINATION THERAPY FOR IMPROVING SLEEP QUALITY Sepracor, Inc. (US) 2006-09-06 EP 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-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 disclosed
EP-1047427-A1 COMBINATION OF A GABA-A ALPHA 2/3 AGONIST AND A SELECTIVE SEROTONIN REUPTAKE INHIBITOR MERCK SHARP & DOHME LTD. (GB) 2000-11-02 EP disclosed
US-6110915-A Antiemetic use of triazolo-pyridazine derivatives MERCK & CO., INC. (US) 2000-08-29 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

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-20070299055-A1 COMBINATION OF SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR IMPROVING SLEEP QUALITY AND TREATING DEPRESSION HTR2A, HTR5A, HTR2C TSHR 295/4885PIK3CA 2584/4885MTOR 644/4885
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 TSHR 229/4885PIK3CA 3292/4885MTOR 424/4885
US-20120122874-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION HTR2A, HTR5A, HTR2C TSHR 269/4885PIK3CA 2910/4885MTOR 744/4885
US-20050215521-A1 Modafinil combination therapy for improving sleep quality HCRTR2, HCRTR1, MTNR1A TSHR 1106/4885PIK3CA 1074/4885MTOR 522/4885

“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.