SCHEMBL551887

SCHEMBL551887

CN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
LPL P06858 12/20 0.40
LIPG Q9Y5X9 12/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
F11 P03951 1/20 0.34
HPGD P15428 1/20 0.34
P4HB P07237 1/20 0.33

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
SCHEMBL23546470 0.82 CA1 (0.44) CA1CA2CA9CA12CA3
SCHEMBL794275 0.80 ALDH1A1 (0.49) CA1CA2CA9CA12CA3
SCHEMBL16611640 0.80 CA1 (0.42) CA1CA2CA9CA12CA3
SCHEMBL2700073 0.79 ALDH1A1 (0.44) CA1CA2CA9CA12CA3
SCHEMBL20639771 0.78 POLB (0.40) CA1CA2CA9CA12CA3
SCHEMBL20639900 0.78 POLB (0.40) CA1CA2CA9CA12CA3
SCHEMBL4900309 0.78 F10 (0.45) CA1CA2CA9CA12CA3
SCHEMBL4390918 0.76 USP30 (0.46)
SCHEMBL19583 0.76 ALDH1A1 (0.49) LPLLIPG
SCHEMBL22553912 0.75 CA1 (0.43) CA1CA2CA9CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240309008-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2024-09-19 US disclosed
US-12030889-B2 Imidazopyridazine and imidazopyridine compounds and uses thereof INCYTE CORPORATION (US) 2024-07-09 US disclosed
US-20220315595-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2022-10-06 US disclosed
US-11459329-B2 Imidazopyridazine and imidazopyridine compounds and uses thereof INCYTE CORPORATION (US) 2022-10-04 US disclosed
CN-114787160-A Imidazopyridazines and imidazopyridines as activin receptor-like kinase-2 inhibitors 因赛特公司 2022-07-22 CN disclosed
CN-114437074-A Compound, pharmaceutical composition containing compound and application of compound 北京伯汇生物技术有限公司 2022-05-06 CN disclosed
EP-3898627-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE-2 Incyte Corporation (US) 2021-10-27 EP disclosed
WO-2020132197-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE-2 INCYTE CORPORATION (US) 2020-06-25 WO disclosed
US-20200199131-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2020-06-25 US disclosed
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
WO-2013053051-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2013-04-18 WO disclosed
WO-2013051672-A1 MEDICINAL AGENT COMPRISING THIAZOLIDINE DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT 株式会社ヤクルト本社 (JP) 2013-04-11 WO disclosed
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
WO-2012048411-A1 PLK-4 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2012-04-19 WO disclosed
WO-2012048411-A1 PLK-4 INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2012-04-19 WO disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 US disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 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 (7 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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA SLC6A2 4064/4885SLC6A4 4402/4885CA1 4013/4885
US-20220315595-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF ALK, ABL2, ACVR2A SLC6A2 3102/4885SLC6A4 3501/4885CA1 3277/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA SLC6A2 4064/4885SLC6A4 4402/4885CA1 4013/4885
US-11459329-B2 Imidazopyridazine and imidazopyridine compounds and uses thereof ALK, ABL2, ACVR2A SLC6A2 3102/4885SLC6A4 3501/4885CA1 3277/4885
US-12030889-B2 Imidazopyridazine and imidazopyridine compounds and uses thereof ALK, ABL2, ACVR2A SLC6A2 3102/4885SLC6A4 3501/4885CA1 3277/4885
US-20200199131-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF ALK, ABL2, ACVR2A SLC6A2 3102/4885SLC6A4 3501/4885CA1 3277/4885
US-20240309008-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF ALK, ABL2, ACVR2A SLC6A2 3102/4885SLC6A4 3501/4885CA1 3277/4885

“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.