SCHEMBL16706352

SCHEMBL16706352

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc4c(c3)CN(CCC)C4)ncc2OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.66
JAK3 P52333 3/20 0.66
ITK Q08881 6/20 0.57
EGFR P00533 15/20 0.57
JAK2 O60674 2/20 0.55
BLK P51451 2/20 0.55
BMX P51813 2/20 0.55
PLK4 O00444 1/20 0.55
GAK O14976 1/20 0.55
NUAK1 O60285 1/20 0.55
FLT3 P36888 1/20 0.55
CTSC P53634 1/20 0.55
PTK2 Q05397 1/20 0.55
ERBB4 Q15303 1/20 0.55
DCLK3 Q9C098 1/20 0.55
NUAK2 Q9H093 1/20 0.55
EML4 Q9HC35 1/20 0.55
EIF2AK4 Q9P2K8 1/20 0.55
ALK Q9UM73 1/20 0.55
MAP3K7 O43318 1/20 0.53

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
SCHEMBL16370912 0.93 BTK (0.65) BTKJAK3ITKEGFRJAK2
SCHEMBL30672898 0.93 BTK (0.65) BTKJAK3ITKEGFRJAK2
SCHEMBL16706326 0.86 JAK3 (0.64) BTKJAK3ITKEGFRJAK2
SCHEMBL16706318 0.86 EGFR (0.69) BTKJAK3ITKEGFRJAK2
SCHEMBL16706353 0.85 BTK (0.63) BTKJAK3ITKEGFRJAK2
SCHEMBL21727164 0.84 BTK (0.53) BTKJAK3ITKEGFRJAK2
SCHEMBL12519542 0.84 EGFR (0.79) BTKJAK3ITKEGFR
SCHEMBL16372156 0.82 EGFR (0.81) BTKJAK3ITKEGFRJAK2
SCHEMBL30672758 0.82 EGFR (0.81) BTKJAK3ITKEGFRJAK2
SCHEMBL19976710 0.81 BTK (0.69) BTKJAK3ITKEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920074-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2018-03-20 US disclosed
US-20170029442-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. 2017-02-02 US disclosed
US-9464089-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2016-10-11 US disclosed
US-20150133457-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. 2015-05-14 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-20170029442-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK BTK 3/4885JAK3 30/4885ITK 4/4885
US-20150133457-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK BTK 3/4885JAK3 30/4885ITK 4/4885

“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.