SCHEMBL6179151

SCHEMBL6179151

O=C1Cc2c(cc(I)cc2C(F)(F)F)N1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.41
CDK5 Q00535 10/20 0.41
CDK5R1 Q15078 10/20 0.41
CCNB2 O95067 7/20 0.41
CDK1 P06493 7/20 0.41
CCNB1 P14635 7/20 0.41
CCNB3 Q8WWL7 7/20 0.41
CMA1 P23946 1/20 0.34
AHR P35869 1/20 0.34
KIF11 P52732 3/20 0.34
PTK2B Q14289 1/20 0.34
GSK3A P49840 3/20 0.33
TDP2 O95551 3/20 0.33
CYP3A4 P08684 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32

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
SCHEMBL496908 0.80 CA9 (0.37) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL31698083 0.80 CMA1 (0.45) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL10129810 0.80 POLB (0.37) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL29958816 0.76 EPHX2 (0.37) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL24355256 0.73 GSK3B (0.44) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL20106904 0.73 TDP2 (0.42) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL1450511 0.72 GSK3B (0.35) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL17974653 0.72 AHR (0.44) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL496513 0.70 CCNB2 (0.42) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL3726368 0.68 CES1 (0.41)

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-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2023-08-24 US disclosed
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
US-20220411403-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2022-12-29 US disclosed
WO-2021226261-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2021-11-11 WO disclosed
EP-1105376-B1 OXINDOLE DERIVATIVES AS GROWTH HORMONE RELEASERS SUMITOMO PHARMA (JP) 2005-02-09 EP disclosed
US-6576656-B1 Such as 1-(2-diethylaminoethyl)-4-trifluoromethyl-6-carbamoyl-3-hydroxy-3-(2 -chlorophenyl)oxindole; growth hormone releaser SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2003-06-10 US disclosed
EP-1105376-A1 OXINDOLE DERIVATIVES AS GROWTH HORMONE RELEASERS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-06-13 EP disclosed
WO-2000010975-A1 OXINDOLE DERIVATIVES AS GROWTH HORMONE RELEASERS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2000-03-02 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 (3 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-20220411403-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B GSK3B 617/4885CDK5 171/4885CDK5R1 327/4885
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B GSK3B 617/4885CDK5 171/4885CDK5R1 327/4885
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B GSK3B 617/4885CDK5 171/4885CDK5R1 327/4885

“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.