SCHEMBL17209776

SCHEMBL17209776

C=CC(=O)Nc1ccc(CNc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 1.00
EGFR P00533 3/20 0.85
JAK2 O60674 2/20 0.85
FLT3 P36888 2/20 0.85
BLK P51451 2/20 0.85
BTK Q06187 2/20 0.85
ITK Q08881 2/20 0.85
JAK1 P23458 1/20 0.85
TTK P33981 1/20 0.85
TXK P42681 1/20 0.85
PLK4 O00444 1/20 0.68
GAK O14976 1/20 0.68
NUAK1 O60285 1/20 0.68
BMX P51813 1/20 0.68
CTSC P53634 1/20 0.68
PTK2 Q05397 1/20 0.68
ERBB4 Q15303 1/20 0.68
DCLK3 Q9C098 1/20 0.68
NUAK2 Q9H093 1/20 0.68
EML4 Q9HC35 1/20 0.68

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
SCHEMBL30225760 0.92 JAK3 (1.00) JAK3EGFRJAK2FLT3BLK
SCHEMBL30925312 0.92 JAK3 (1.00) JAK3EGFRJAK2FLT3BLK
SCHEMBL17202389 0.92 JAK3 (1.00) JAK3EGFRJAK2FLT3BLK
SCHEMBL17209771 0.92 JAK3 (0.85) JAK3EGFRJAK2FLT3BLK
SCHEMBL17209775 0.90 JAK3 (0.85) JAK3EGFRJAK2FLT3BLK
SCHEMBL17209774 0.90 JAK3 (0.86) JAK3EGFRJAK2FLT3BLK
SCHEMBL17209773 0.87 JAK3 (0.83) JAK3EGFRJAK2FLT3BLK
SCHEMBL28053891 0.87 JAK3 (0.77) JAK3EGFRJAK2FLT3BLK
SCHEMBL24255239 0.86 JAK3 (0.76) JAK3EGFRJAK2FLT3BLK
SCHEMBL17209829 0.86 JAK3 (1.00) JAK3EGFRJAK2FLT3BLK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017477-B2 Janus kinase inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-07-10 US disclosed
US-10017477-B2 Janus kinase inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-07-10 US disclosed
US-9862688-B2 Hydrophobically tagged janus kinase inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-01-09 US disclosed
US-20170044111-A1 JANUS KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-16 US disclosed
US-20170044111-A1 JANUS KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-16 US disclosed
US-20170044112-A1 HYDROPHOBICALLY TAGGED JANUS KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-16 US disclosed
WO-2015164614-A1 JANUS KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-10-29 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-20170044111-A1 JANUS KINASE INHIBITORS AND USES THEREOF JAK3, JAK1, JAK2 JAK3 1/4885EGFR 692/4885JAK2 3/4885
US-10017477-B2 Janus kinase inhibitors and uses thereof JAK3, JAK1, JAK2 JAK3 1/4885EGFR 692/4885JAK2 3/4885
US-20170044112-A1 HYDROPHOBICALLY TAGGED JANUS KINASE INHIBITORS AND USES THEREOF JAK1, JAK3, JAK2 JAK3 2/4885EGFR 855/4885JAK2 3/4885

“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.