SCHEMBL19689207

SCHEMBL19689207

Cc1cc(C)c2ncc(C(=O)NC(C)C3CC3)n2n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.41
▸ IDO1 P14902 3/20 0.40
▸ SMYD3 Q9H7B4 7/20 0.39
▸ TYK2 P29597 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.35
▸ KCNK3 O14649 3/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 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
SCHEMBL19578164 1.00 RIPK1 (0.41) RIPK1IDO1SMYD3TYK2PDE4D
SCHEMBL23996086 0.94 CNR2 (0.42) TYK2PDE4DJAK2JAK1JAK3
SCHEMBL19554639 0.88 IDO1 (0.41) RIPK1IDO1SMYD3TYK2PDE4D
SCHEMBL19554627 0.88 IDO1 (0.41) RIPK1IDO1SMYD3TYK2PDE4D
SCHEMBL19554626 0.88 IDO1 (0.41) RIPK1IDO1SMYD3TYK2PDE4D
SCHEMBL19555116 0.84 ULK1 (0.40) SMYD3TYK2PDE4D
SCHEMBL19554552 0.82 IDO1 (0.40) RIPK1IDO1SMYD3CYP2C9CYP2C19
SCHEMBL19554551 0.82 IDO1 (0.40) RIPK1IDO1SMYD3CYP2C9CYP2C19
SCHEMBL19578157 0.80 ULK1 (0.37) SMYD3TYK2PDE4DJAK2JAK3
SCHEMBL19578187 0.80 RXFP1 (0.41) RIPK1IDO1CNR2KDM4EALDH1A1

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 6 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
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

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 RIPK1 3667/4885IDO1 63/4885SMYD3 1429/4885
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 RIPK1 3667/4885IDO1 63/4885SMYD3 1429/4885
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 RIPK1 3667/4885IDO1 63/4885SMYD3 1429/4885
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 RIPK1 3667/4885IDO1 63/4885SMYD3 1429/4885

“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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