SCHEMBL19554631

SCHEMBL19554631

CCOC(=O)C(=O)NCc1nnc(-c2cccc(OC)c2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ HPGD P15428 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ADORA1 P30542 3/20 0.45
▸ ADORA2A P29274 2/20 0.45
▸ MAPT P10636 5/20 0.43
▸ MAOB P27338 1/20 0.41
▸ PLK1 P53350 1/20 0.40
▸ ADORA3 P0DMS8 2/20 0.39
▸ ADORA2B P29275 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL29779687 1.00 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL19554584 0.86 ADORA2A (0.43) ALDH1A1KDM4EHPGDHSD17B10ADORA1
SCHEMBL29779673 0.86 ADORA2A (0.43) ALDH1A1KDM4EHPGDHSD17B10ADORA1
SCHEMBL19554618 0.80 MAPT (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL19554630 0.75 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL19554641 0.75 NPC1 (0.44) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
Hydrochloric Acid SCHEMBL19554599 0.73 MAOB (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL1142614 0.69 MTNR1A (0.61) ALDH1A1HTTRAB9A
SCHEMBL11464590 0.68 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HPGDUSP2MAPT
SCHEMBL884338 0.67 ALDH1A1 (0.58) ALDH1A1HPGDMAPTNPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11878979-B2 Substituted imidazo[1,2-b]pyridazines, substituted imidazo[1,5-b]pyridazines, related compounds, and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2024-01-23 — — US disclosed
CN-109311902-B Substituted imidazo [1,2-b ] pyridazines, imidazo [1,5-b ] pyridazines, related compounds, and uses thereof BIAL研发投资股份有限公司 2022-07-15 — — CN disclosed
US-20220185814-A1 SUBSTITUTED IMIDAZO[1,2-b]PYRIDAZINES, SUBSTITUTED IMIDAZO[1,5-b]PYRIDAZINES, RELATED COMPOUNDS, AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2022-06-16 — — US disclosed
US-11168087-B2 Substituted imidazo[1,2-b]pyridazines, substituted imidazo[1,5-b]pyridazines, related compounds, and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2021-11-09 — — US disclosed
EP-3452481-A1 SUBSTITUTED IMIDAZO[1,2-b Lysosomal Therapeutics Inc. (US) 2019-03-13 — — EP disclosed
US-9868742-B2 Substituted imidazo[1,2-b]pyridazines, substituted imidazo[1,5-b] pyridazines, related compounds, and their use in the treatment of medical disorders LYSOSOMAL THERAPEUTICS INC. (US) 2018-01-16 — — US disclosed
US-20170355702-A1 SUBSTITUTED IMIDAZO[1,2-b]PYRIDAZINES, SUBSTITUTED IMIDAZO[1,5-b] PYRIDAZINES, RELATED COMPOUNDS, AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2017-12-14 — — US disclosed
WO-2017192930-A1 SUBSTITUTED IMIDAZO[1,2-b]PYRIDAZINES, SUBSTITUTED IMIDAZO[1,5-b]PYRIDAZINES, RELATED COMPOUNDS, AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2017-11-09 — — 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-20170355702-A1 SUBSTITUTED IMIDAZO[1,2-b]PYRIDAZINES, SUBSTITUTED IMIDAZO[1,5-b] PYRIDAZINES, RELATED COMPOUNDS, AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, GALC ALDH1A1 2739/4885KDM4E 861/4885SMN1; SMN2 8/4885
US-11168087-B2 Substituted imidazo[1,2-b]pyridazines, substituted imidazo[1,5-b]pyridazines, related compounds, and their use in the treatment of medical disorders GBA1, GBA2, GALC ALDH1A1 2739/4885KDM4E 861/4885SMN1; SMN2 8/4885
US-11878979-B2 Substituted imidazo[1,2-b]pyridazines, substituted imidazo[1,5-b]pyridazines, related compounds, and their use in the treatment of medical disorders GBA1, GBA2, GALC ALDH1A1 2739/4885KDM4E 861/4885SMN1; SMN2 8/4885
US-20220185814-A1 SUBSTITUTED IMIDAZO[1,2-b]PYRIDAZINES, SUBSTITUTED IMIDAZO[1,5-b]PYRIDAZINES, RELATED COMPOUNDS, AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, GALC ALDH1A1 2739/4885KDM4E 861/4885SMN1; SMN2 8/4885

“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.

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