SCHEMBL2646767

SCHEMBL2646767

CC(C)(C)c1cc(NN)nnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GOT1 P17174 1/20 0.32

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
Hydrazine SCHEMBL2655942 0.96 GAA (0.37) GAAMAPTALDH1A1PTGS1PTGS2
SCHEMBL7673909 0.93 ALDH1A1 (0.43) GAAMAPTALDH1A1PTGS1PTGS2
SCHEMBL10265141 0.81 ALDH1A1 (0.39) GAAMAPTALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL1205235 0.79 ALDH1A1 (0.38) GAAMAPTALDH1A1KDM4EHTT
SCHEMBL10839658 0.78 MEN1 (0.39) GAAALDH1A1SMN1; SMN2
SCHEMBL1189327 0.74 MAPT (0.43) GAAMAPTALDH1A1KDM4EHTT
SCHEMBL31314253 0.74 TDP1 (0.37) MAPTALDH1A1PTGS1PTGS2KDM4E
SCHEMBL5120892 0.74 TDP1 (0.37) MAPTALDH1A1PTGS1PTGS2KDM4E
SCHEMBL7832619 0.73 HTT (0.33) HTT
SCHEMBL10840941 0.73 ALDH1A1 (0.41) GAAMAPTALDH1A1KDM4EHTT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017190707-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF 如东赛默罗生物科技有限公司 2017-11-09 WO disclosed
EP-1149102-B1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2004-12-08 EP disclosed
US-6630471-B1 Central nervous system disorders MERCK SHARP & DOHME LTD. (GB) 2003-10-07 US disclosed
US-20030158203-A1 Triazolo-pyridazine derivatives as ligands for GABA receptors MERCK & CO., INC. 2003-08-21 US disclosed
EP-1107967-B1 TRIAZOLOPYRIDAZINE DERIVATIVES FOR ENHANCING COGNITION MERCK SHARP & DOHME (GB) 2003-05-14 EP disclosed
EP-1090004-B1 A SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVE, PHARMACEUTICAL COMPOSITIONS MADE THEREFROM MERCK SHARP & DOHME (GB) 2003-05-07 EP disclosed
US-6500828-B1 TREATMENT OF ANXIETY AND CONVULSIONS MERCK SHARP & DOHME LTD. (GB) 2002-12-31 US disclosed
US-6444666-B1 SUCH AS ALZHEIMER'S DISEASE; SUBSTITUTED 1,2,4-TRIAZOLO(4,3-B) PYRIDAZINE DERIVATIVES ARE LIGANDS FOR GABA RECEPTORS; CONVULSANT ACTIVITY IS REDUCED OR ELIMINATED MERCK SHARP & DOHME LTD. (GB) 2002-09-03 US disclosed
EP-1149102-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2001-10-31 EP disclosed
US-6297235-B1 ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2001-10-02 US disclosed
WO-2000044752-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2000-08-03 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 (1 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-20030158203-A1 Triazolo-pyridazine derivatives as ligands for GABA receptors GABBR1, GABRA3, GABRA5 GAA 4421/4885MAPT 1219/4885ALDH1A1 1525/4885

“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.