SCHEMBL857946

SCHEMBL857946

N#Cc1ccc2[c]ccnc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
CLK4 Q9HAZ1 2/20 0.36
GAK O14976 2/20 0.35
RIPK2 O43353 2/20 0.35
COQ8A Q8NI60 2/20 0.35
NLK Q9UBE8 2/20 0.35
CYP11B2 P19099 3/20 0.34
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.34
CDK8 P49336 2/20 0.33
CCNC P24863 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 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
SCHEMBL5749391 0.86 CDK5 (0.37) CDK5CCNB2CDK1CCNB1GSK3A
SCHEMBL217998 0.73 NR4A2 (0.47) GAA
SCHEMBL622637 0.72 CDK5 (0.47) CDK5CCNB2CDK1CCNB1GSK3A
SCHEMBL1496286 0.72 HTT (0.46) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL855089 0.72 FERMT2 (0.35) CDK5CCNB2CDK1CCNB1GSK3A
SCHEMBL4471481 0.72 ALDH1A1 (0.46) CDK5CCNB2CDK1CCNB1GSK3A
Methane SCHEMBL28258537 0.71 CDK5 (0.46) CDK5CCNB2CDK1CCNB1GSK3A
SCHEMBL5746853 0.68 NOS3 (0.39) GSK3AGSK3BCLK4KDM4EALDH1A1
SCHEMBL946296 0.68 NOS3 (0.39) CDK5CCNB2CDK1CCNB1GSK3A
SCHEMBL22121598 0.68 RECQL (0.39) SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114787160-A Imidazopyridazines and imidazopyridines as activin receptor-like kinase-2 inhibitors 因赛特公司 2022-07-22 CN claimed
EP-3898627-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE-2 Incyte Corporation (US) 2021-10-27 EP claimed
US-20200199131-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2020-06-25 US claimed
WO-2020132197-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE-2 INCYTE CORPORATION (US) 2020-06-25 WO claimed
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US claimed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US claimed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP claimed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO claimed
US-12030889-B2 Imidazopyridazine and imidazopyridine compounds and uses thereof INCYTE CORPORATION (US) 2024-07-09 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
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
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA CDK5 128/4885CCNB2 2956/4885CDK1 237/4885
US-12030889-B2 Imidazopyridazine and imidazopyridine compounds and uses thereof ALK, ABL2, ACVR2A CDK5 1446/4885CCNB2 1322/4885CDK1 3068/4885
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS PIM1, PIM2, PIM3 CDK5 577/4885CCNB2 2153/4885CDK1 239/4885
US-20200199131-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF ALK, ABL2, ACVR2A CDK5 1446/4885CCNB2 1322/4885CDK1 3068/4885

“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.