SCHEMBL16706344

SCHEMBL16706344

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(CCC)CC4)cc3)nc3[nH]ccc23)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.85
BTK Q06187 8/20 0.85
JAK3 P52333 7/20 0.85
JAK2 O60674 4/20 0.85
JAK1 P23458 3/20 0.85
KCNH2 Q12809 2/20 0.85
MAP3K7 O43318 1/20 0.71
LRRK2 Q5S007 1/20 0.68
NUAK1 O60285 1/20 0.63
ABCB11 O95342 1/20 0.61
ESR1 P03372 1/20 0.61
CHRM2 P08172 1/20 0.61
HTR1A P08908 1/20 0.61
ADRA2A P08913 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CHRM1 P11229 1/20 0.61
DRD1 P21728 1/20 0.61
TBXA2R P21731 1/20 0.61
SLC6A2 P23975 1/20 0.61
PDE4A P27815 1/20 0.61

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
SCHEMBL16370848 0.93 EGFR (0.82) EGFRBTKJAK3JAK2JAK1
SCHEMBL30672748 0.93 EGFR (0.82) EGFRBTKJAK3JAK2JAK1
SCHEMBL15453409 0.92 EGFR (1.00) EGFRBTKJAK3JAK2JAK1
SCHEMBL16706346 0.90 EGFR (0.86) EGFRBTKJAK3JAK2JAK1
SCHEMBL16706359 0.88 NUAK1 (0.68) EGFRBTKJAK3JAK2JAK1
SCHEMBL16706350 0.84 EGFR (0.64) EGFRBTKJAK3JAK2JAK1
SCHEMBL16706318 0.83 EGFR (0.69) EGFRBTKJAK3JAK2JAK1
SCHEMBL18018785 0.83 MAP3K7 (1.00) EGFRBTKJAK3JAK2JAK1
SCHEMBL29937838 0.83 JAK3 (1.00) EGFRBTKJAK3JAK2JAK1
SCHEMBL15453375 0.83 JAK3 (1.00) EGFRBTKJAK3JAK2JAK1

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 EGFR 16/4885BTK 3/4885JAK3 30/4885
US-20150133457-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK EGFR 16/4885BTK 3/4885JAK3 30/4885

“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.