SCHEMBL18506903

SCHEMBL18506903

C=CC(=O)Nc1cccc(C(C)Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc(N)c2Cl)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.80
EGFR P00533 8/20 0.61
JAK2 O60674 2/20 0.61
FLT3 P36888 2/20 0.61
BLK P51451 2/20 0.61
BTK Q06187 2/20 0.61
ITK Q08881 2/20 0.61
JAK1 P23458 1/20 0.61
TTK P33981 1/20 0.61
TXK P42681 1/20 0.61
CTSC P53634 3/20 0.60
PLK4 O00444 1/20 0.60
GAK O14976 1/20 0.60
NUAK1 O60285 1/20 0.60
BMX P51813 1/20 0.60
PTK2 Q05397 1/20 0.60
ERBB4 Q15303 1/20 0.60
DCLK3 Q9C098 1/20 0.60
NUAK2 Q9H093 1/20 0.60
EML4 Q9HC35 1/20 0.60

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
SCHEMBL17209893 0.89 JAK3 (1.00) JAK3EGFRJAK2FLT3BLK
SCHEMBL17209833 0.85 JAK3 (1.00) JAK3EGFRJAK2FLT3BLK
SCHEMBL10128042 0.79 EGFR (0.86) JAK3EGFRJAK2FLT3BLK
SCHEMBL10127876 0.76 JAK3 (0.80) JAK3EGFRJAK2FLT3BLK
SCHEMBL23243707 0.76 CTSC (0.77) JAK3EGFRJAK2FLT3BLK
SCHEMBL18371447 0.76 JAK3 (0.81) JAK3EGFRJAK2FLT3BLK
SCHEMBL30925312 0.76 JAK3 (1.00) JAK3EGFRJAK2FLT3BLK
SCHEMBL30225760 0.76 JAK3 (1.00) JAK3EGFRJAK2FLT3BLK
SCHEMBL17202389 0.76 JAK3 (1.00) JAK3EGFRJAK2FLT3BLK
SCHEMBL10128162 0.75 JAK3 (0.66) 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 2 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-20170044111-A1 JANUS KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-16 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 (2 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

“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.