SCHEMBL19689239

SCHEMBL19689239

Cc1cc(C)c2cnc(C(=O)NC(C)C3CC3)n2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
IDO1 P14902 4/20 0.40
SMYD3 Q9H7B4 6/20 0.39
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
CYP1A2 P05177 2/20 0.36
EGLN1 Q9GZT9 1/20 0.35
CNR2 P34972 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
CNR1 P21554 2/20 0.34

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
SCHEMBL19578071 1.00 RIPK1 (0.41) RIPK1IDO1SMYD3JAK2JAK1
SCHEMBL19698903 0.95 CNR2 (0.39) RIPK1IDO1SMYD3JAK2JAK1
SCHEMBL19554565 0.84 MAPK1 (0.37) JAK2JAK1JAK3CYP1A2
SCHEMBL19577939 0.84 CNR2 (0.40) RIPK1IDO1SMYD3JAK2JAK1
SCHEMBL19578032 0.82 ALDH1A1 (0.38) RIPK1IDO1SMYD3JAK2JAK1
SCHEMBL19554531 0.82 IDO1 (0.40) RIPK1IDO1SMYD3EGLN1CYP2C9
SCHEMBL19554529 0.82 IDO1 (0.40) RIPK1IDO1SMYD3EGLN1CYP2C9
SCHEMBL19577932 0.82 CNR2 (0.36) RIPK1SMYD3JAK2JAK1JAK3
SCHEMBL19577937 0.80 MAPK1 (0.35) JAK2JAK3CYP1A2ALDH1A1HPGD
SCHEMBL19578164 0.79 RIPK1 (0.41) RIPK1IDO1SMYD3JAK2JAK1

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.