SCHEMBL497285

SCHEMBL497285

Clc1nn2c(-c3ccccc3)nnc2c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.69
TSHR P16473 1/20 0.69
RAB9A P51151 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
RXFP1 Q9HBX9 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
GABRG2 P18507 4/20 0.61
GABRB3 P28472 4/20 0.61
GABRA5 P31644 4/20 0.61
GABRA3 P34903 4/20 0.61
GABRA2 P47869 4/20 0.61
GABRA1 P14867 3/20 0.61
THRB P10828 1/20 0.60
MAPT P10636 1/20 0.60

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
Dimethylamine SCHEMBL496581 0.94 SMN1; SMN2 (0.66) NPC1TSHRRAB9ASMN1; SMN2RXFP1
SCHEMBL496820 0.88 RXFP1 (0.59) NPC1TSHRRAB9ASMN1; SMN2RXFP1
SCHEMBL496814 0.84 MAPT (0.76) NPC1TSHRRAB9ASMN1; SMN2RXFP1
SCHEMBL2031649 0.84 RXFP1 (0.55) NPC1TSHRRAB9ASMN1; SMN2RXFP1
SCHEMBL2027048 0.84 RXFP1 (0.51) NPC1TSHRRAB9ASMN1; SMN2RXFP1
SCHEMBL7956285 0.82 RXFP1 (0.56) NPC1TSHRRAB9ASMN1; SMN2RXFP1
SCHEMBL18973345 0.82 RXFP1 (0.56) NPC1TSHRRAB9ASMN1; SMN2RXFP1
SCHEMBL2830794 0.81 RXFP1 (0.62) NPC1TSHRRAB9ASMN1; SMN2RXFP1
SCHEMBL10878254 0.80 SMN1; SMN2 (0.69) NPC1TSHRRAB9ASMN1; SMN2RXFP1
SCHEMBL2023662 0.80 PDE2A (0.57) NPC1TSHRRAB9ASMN1; SMN2RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874775-B1 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2012-10-10 EP disclosed
EP-1836207-B1 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2012-10-10 EP disclosed
US-8106047-B2 (4-Methoxyphenyl)-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-amine; phosphodiesterase inhibitors; septic shock or vascular edema; neoangiogenesis or inflammatory disease NYCOMED GMBH (DE) 2012-01-31 US disclosed
US-20110136803-A1 Triazolophthalazines NYCOMED GMBH (DE) 2011-06-09 US disclosed
US-7851472-B2 Triazolophthalazines NYCOMED GMBH (DE) 2010-12-14 US disclosed
US-20100286140-A1 TRIAZOLOPHTHALAZINES NYCOMED GMBH (DE) 2010-11-11 US disclosed
EP-1791543-B1 TRIAZOLOPHTHALAZINES NYCOMED GMBH (DE) 2010-06-16 EP disclosed
US-7671050-B2 Triazolophthalazines NYCOMED GMBH (DE) 2010-03-02 US disclosed
US-7645756-B2 6-[4-(3-piperidin-1-ylpropoxy)-phenyl]-[1,2,4]triazolo[4,3-b]pyridazine; has histamine-H3 receptor antagonistic effect or a histamine-H3 receptor inverse-agonistic effect; for metabolic system, circulatory system or nervous system diseases BANYU PHARMACEUTICAL CO. LTD. (JP) 2010-01-12 US disclosed
US-20090005372-A1 Triazolophthalazines ALTANA PHARMA AG (DE) 2009-01-01 US disclosed
EP-1228069-B1 BICYCLIC AND TRICYCLIC HETEROAROMATIC COMPOUNDS NEUROGEN CORP (US) 2003-04-02 EP disclosed
US-6511987-B1 Heterocyclic derivatives that bind to the benzodiazepine site of GABAA receptors for treatment of central nervous system disorders NEUROGEN CORPORATION 2003-01-28 US disclosed
WO-2002083140-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2002-10-24 WO disclosed
WO-2002083064-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2002-10-24 WO disclosed
US-6255305-B1 PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LIMITED (GB) 2001-07-03 US 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
US-4788186-A ANXIOLYTIC AGENTS GRUPPO LEPETIT S.P.A. (IT) 1988-11-29 US disclosed
EP-0085840-B1 NEW 6-SUBSTITUTED-S-TRIAZOLO(3,4-A)PHTHALAZINE DERIVATIVES GRUPPO LEPETIT S.P.A. (IT) 1986-10-01 EP disclosed
EP-0085840-A1 New 6-substituted-s-triazolo(3,4-a)phthalazine derivatives GRUPPO LEPETIT S.P.A. (IT) 1983-08-17 EP 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 (3 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-20100286140-A1 TRIAZOLOPHTHALAZINES PDE2A, PDE12, PDE3A NPC1 3556/4885TSHR 1435/4885RAB9A 3017/4885
US-20110136803-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 NPC1 3725/4885TSHR 1052/4885RAB9A 2855/4885
US-20090005372-A1 Triazolophthalazines PDE2A, PDE12, PDE3A NPC1 3556/4885TSHR 1435/4885RAB9A 3017/4885

“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.